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S-Methylisothiourea hemisulfate

S-Methylisothiourea hemisulfate structure

CAS No:
867-44-7
Formula:
C2H6N2S.¹/2H2O4S
Chemical Name:
S-Methylisothiourea hemisulfate
Synonyms:
Carbamimidothioic acid,methyl ester,sulfate (2:1);Pseudourea,2-methyl-2-thio-,sulfate (2:1);S-Methylthiouronium sulfate (2:1);S-Methylisothiourea sulfate (2:1);2-Methyl-2-thiopseudourea sulfate (2:1);S-Methylisothiourea hemisulfate;Methylthioformamidine sulfate (2:1);Methylisothiourea sulfate (2:1);S-Methylthiopseudourea sulfate;S-Methylisothiouronium hemisulfate;S-Methylisothiourea semisulfate;S-Methylisothiourea hemisulfuric acid salt;Bis(S-methylisothiouronium) sulfate;S-Methylisothioura hemisulfate;72046-63-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white crystalline powder

S-Methylisothiourea hemisulfate Basic Attributes

Molecular Weight：

188.22600

Exact Mass：

187.99300

EC Number：

212-759-7

NSC Number：

227845|516

HScode：

2930909090

Characteristics

PSA：

158.15000

XLogP3：

1.47090

Appearance：

white crystalline powder

Density：

1.28 g /cm3

Melting Point：

239 °C

Boiling Point：

138.8ºC at 760 mmHg

Flash Point：

37.7ºC

Water Solubility：

H2O: 260 g/L (20 ºC)

Storage Conditions：

Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22

safety instructions：

22-24/25

RTECS Number：

UM9200000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

S-Methylisothiourea hemisulfate Use and Manufacturing

Uses

Intermediate of 4-Hydroxydebrisoquine. S-Methyl-isothiouronium Hemisulfate is also a reagent used in the synthesis of strobilurin-pyrimidine derivatives for their anti-proliferative activity.

Manufacturing Info：

Carbamimidothioic acid, methyl ester, sulfate (1:?): INACTIVE

Computed Properties

Molecular Weight:188.23
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:187.99254909
Monoisotopic Mass:187.99254909
Topological Polar Surface Area:158
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of S-Methylisothiourea hemisulfate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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S-Methylisothiourea hemisulfate

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