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THIOUREA-14C structure

THIOUREA-14C structure

THIOUREA-14C

: Iupac Name：diamino(114C)methanethione; CAS No.: 5022-68-4; Molecular Weight：78.14; Modify Date.: 2022-10-26 18:13

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1. Names and Identifiers

: 1.1 Name; THIOUREA-14C; 1.2 Synonyms; [14C]THIOUREA 4,8,12-trioxapentadecane-1,2,6,10,14,15-hexaol polyglycerine #310 tetraglycerol thiourea THIOUREA-14C (1-30 MCI/MMOL) THIOUREA-14C (30-60 MCI/MMOL)

1.3 CAS No.: 5022-68-4

1.4 CID: 12201087

1.5 Molecular Formula: CH4N2S (isomer)

1.6 Inchi: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)/i1+2

1.7 InChIkey: UMGDCJDMYOKAJW-NJFSPNSNSA-N

1.8 Canonical Smiles: C(=S)(N)N

1.9 Isomers Smiles: [14C](=S)(N)N

2. Properties

2.1 PSA: 84.13000

2.1 logP: 0.58930

2.1 Appearance: solid

2.2 StorageTemp: 2-8°C

3. Safety and Handling

3.1 Hazard Codes: Xn

3.1 Risk Statements: 22-40-51/53

3.1 RIDADR: UN 2910 7

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

5. Synthesis Route

5022-68-4Total: 1 Synthesis Route

21420-36-0

21420-36-0 4 Suppliers

plus

5022-68-4

5022-68-4 7 Suppliers

Literatures:
Zbarsky; Fischer Canadian Journal of Research, Section B: Chemical Sciences, 1949 , vol. 27, p. 84
Yield: null

6. Precursor and Product

precursor:

21420-36-0

21420-36-0

7. Computational chemical data

Molecular Weight: 78.14g/mol
Molecular Formula: CH₄N₂S
Compound Is Canonicalized: True
XLogP3-AA: -0.8
Exact Mass: 78.01276130
Monoisotopic Mass: 78.01276130
Complexity: 29
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 84.1
Heavy Atom Count: 4
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 1
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYADAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQAAAAAAAAAAABAABAAAAEAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. Recommended Suppliers

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Moravek Biochemicals, Inc. Trading Company

Trading Company

Tel:800 447 0100 714-990-2018

THIOUREA-14C

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

Inquire

American Radiolabeled Chemicals, Inc.

Tel:+1-(314)-991- 4545, 800-331-6661

THIOUREA-14C

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

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Spectrum Info. Ltd.

Tel:+38 44 573 23 97

THIOUREA-14C

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

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Perkin Elmer Life Sciences Inc.

Tel:617 350 9263

THIOUREA-14C

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

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NEN

Tel:617 350 9263

THIOUREA-14C

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2022/01/01

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9. Realated Product Infomation

3,4-DIHYDROXYPHENYLETHYLAMINE-8-14C HYDROCHLORIDE-8-14C

60109-35-5 3,4-DIHYDROXYPHENYLETHYLAMINE-8-14C HYDROCHLORIDE-8-14C

PARAFORMALDEHYDE, [14C]

50659-38-6 PARAFORMALDEHYDE, [14C]

FORMALDEHYDE, [14C]

3046-49-9 FORMALDEHYDE, [14C]

UREA, [14C]

594-05-8 UREA, [14C]

CYANAMIDE, [14C]

21420-36-0 CYANAMIDE, [14C]

METHANE [14C]

2772-68-1 METHANE [14C]

FORMAMIDE, [14C]

104809-61-2 FORMAMIDE, [14C]

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Directory

1. Names and Identifiers

: 1.1 Name; 1.2 Synonyms; 1.3 CAS No.; 1.4 CID; 1.5 Molecular Formula; 1.6 Inchi; 1.7 InChIkey; 1.8 Canonical Smiles; 1.9 Isomers Smiles

2. Properties

: 2.1 PSA; 2.1 logP; 2.1 Appearance; 2.2 StorageTemp

3. Safety and Handling

: 3.1 Hazard Codes; 3.1 Risk Statements; 3.1 RIDADR; 3.1 WGK Germany

5.Synthesis Route

6.Precursor and Product

7.Computational chemical data

8.Recommended Suppliers