Benzyl carbamimidothioate hydrochloride (1:1)

Basic Information

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CAS Number

538-28-3

Molecular Formula

C8H11ClN2S

Molecular Weight

202.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

177-179 °C

Boiling Point

283.2°Cat760mmHg

Water Solubility

250 g/L (15 ºC)

Flash Point

125.1°C

Solubility

methanol: soluble1g/10 mL, clear, colorless to very faintly yellow

SMILES

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C1=CC=C(C=C1)CSC(=N)N.Cl

InChI

InChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H

InChIKey

WJAASTDRAAMYNK-UHFFFAOYSA-N

LogP

2.2350700000000003

Topological Polar Surface Area

49.870000000000005 Å²

Hydrogen Bond Donor/Acceptor

3 / 2

Complexity

130

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Hygroscopic

Synonyms & References

English

EINECS 208-688-6
S-Benzylthioformamidine hydrochloride
S-Benzyl-iso-thiourea hydrochloride
AB01105
MFCD00012583
S-BENZYLISOTHIURONIUM CHLORIDE
D88650
S-Benzylthiopseudourea hydrochloride
benzyl carbamimidothioate hydrochloride
Z89242849
CS-W015488
USAF EK-2124
Carbamidothioic acid, phenylmethyl ester, monohydrochloride
2-Benzylisothiourea
S-Benzylthiuronium chloride
Benzylisothiuronium chloride
2-benzyl-2-thiopseudo-urea hydrochloride
NSC 179799
UNII-QJ9N8049ND
2-Benzyl-2-thiopseudourea hydrochloride
NSC-8057
538-28-3
QJ9N8049ND
2-Benzyl-2-thiopseudourea hydrochloride, 98%
FT-0695351
B0442
Benzyl carbamimidothioate HCl
Isothiouronium chloride, benzyl-
Benzylisothiourea hydrochloride
FT-0632334
Benzylthiuronium chloride

MDL Number

MFCD00012583

Customs Code

29309070

FAQ

What is Benzyl carbamimidothioate hydrochloride (CAS: 538-28-3)?

Benzyl carbamimidothioate hydrochloride (CAS: 538-28-3) is a chemical compound with a molecular structure that includes a benzyl group, carbamimidothioate linkage, and a hydrochloride salt. It is characterized by its pungent odor and is used in various applications including pharmaceuticals and research.

What are the main uses of Benzyl carbamimidothioate hydrochloride (CAS: 538-28-3)?

Benzyl carbamimidothioate hydrochloride (CAS: 538-28-3) is primarily used in the synthesis of pharmaceuticals and as a reagent in chemical research. It is also utilized in the formulation of certain organic compounds and intermediates.

Is Benzyl carbamimidothioate hydrochloride (CAS: 538-28-3) safe?

Benzyl carbamimidothioate hydrochloride (CAS: 538-28-3) is generally considered safe when handled with appropriate precautions. However, it should be used in a well-ventilated area and protective gloves and eyewear should be worn to prevent skin and eye contact. Avoid inhalation of dust or fumes.

How should Benzyl carbamimidothioate hydrochloride (CAS: 538-28-3) be stored?

Benzyl carbamimidothioate hydrochloride (CAS: 538-28-3) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent exposure to moisture and should be stored at room temperature (15-25°C). Avoid contact with incompatible materials such as strong acids or bases.