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Thioharnstoff Molecular Structure
Thioharnstoff Molecular Structure

Thioharnstoff

IUPACName:thiourea
CAS Registry Number: 62-56-6
Molekulargewicht:76.12
1. Namen und Bezeichner
1.1 Produktname
Thioharnstoff
1.2 Synonyme

Sulfocarbamid, Sulfoharnstoff, Thiocarbamid, Thioharnstoff

1.3 CAS Registry Number
62-56-6
1.4 CID
2723790
1.5 EINECS-Nummer
200-543-5
1.6 Summenformel
NH2CSNH2 (isomer)
1.7 Inchi
InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
1.8 InchiKey
UMGDCJDMYOKAJW-UHFFFAOYSA-N
1.9 Kanonisch SMILES
C(=S)(N)N
1.10 Isomere SMILES
C(=S)(N)N
2. Eigenschaften
2.1 Dichte
1.405
2.2 Schmelzpunkt
171-175℃
2.3 Siedepunkt
349 to 352° F (NTP, 1992)
2.4 Brechungsindex
1.637 (30 C)
2.5 Blitzpunkt
66.8 °C
2.6 PSA
84.13000
2.7 logP
0.58930
2.8 Löslich
13.6 g/100 mL (20 °C)
2.9 PH
6-8 (50g/l, H2O, 20℃)
2.10 pKa
-1.0(at 25℃)
3. Sicherheit und Handhabung
3.1 Gefahrensymbole
Xn
3.2 Risiko-Codes
R22;R40;R51/53;R63
3.3 Gefahrenkategorie
6.1
3.4 Gefahrenbeschreibung
H302-H351-H361d-H411
3.5 WGK Deutschland
2
3.6 RTECS
YU2800000
4. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H351 Suspected of causing cancer

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Synthetischer Weg.
62-56-6Total: 1 Synthetischer Weg.
7. Vorläufer und Produkt
Vorläufer:
3129-90-6
3129-90-6
8. Computerchemische Daten
  • Masse moléculaire: 76.117g/mol
  • Summenformel: CH4N2S
  • Compound Is Canonicalized: True
  • XLogP3-AA: -0.8
  • Exact Mass: 76.00951931
  • Monoisotopic Mass: 76.00951931
  • 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: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcYADAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQAAAAAAAAAAABAABAAAAEAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
9. Frage zu Antwort
  • Introduction: Thiourea is a compound with important chemical significance that plays an important role in the chemical field. Thiourea is an organic compound containing sulfur and nitrogen, which has..
  • Introduction : Thiourea is a widely used compound that plays an important role in many fields. This article aims to explore the use of Thiourea and study its application and potential in different fi..
  • Visualize a carbon with its four bonds being two methyl (CH3) groups and a double-bonded oxygen (called a keto group.) This is urea. Replace the oxygen with a sulfur (which is right under oxygen on th..
  • I was going through a list of monodentate ligands, and I came across examples like HX2OHX2O (which has 2 lone pairs), BrX?BrX? , IX?IX? (both of them have more than one lone pair). Similarly, thioure..
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11. Realisierte Produktinformationen