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2-Mercaptoimidazole

2-Mercaptoimidazole structure

CAS No:
872-35-5
Formula:
C3H4N2S
Chemical Name:
2-Mercaptoimidazole
Synonyms:
2H-Imidazole-2-thione,1,3-dihydro-;Imidazole-2-thiol;4-Imidazoline-2-thione;2-Imidazolemercaptan;1,3-Dihydro-2H-imidazole-2-thione;2-Mercaptoimidazole;1H-Imidazole-2-thiol;2-Thioxo-2,3-dihydroimidazole;1,3-Vinylenethiourea;2-Mercapto-1H-imidazole;1,3-Dihydroimidazole-2-thione;NSC 112715;2-Thioimidazole;1-Imidazole-2(3H)-thione;4708-60-5;55107-84-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White to light brown solid

2-Mercaptoimidazole Basic Attributes

Molecular Weight：

100.14

Exact Mass：

100.14

EC Number：

212-823-4

UNII：

FD37BLD6L2

NSC Number：

112715

DSSTox ID：

DTXSID6061236

HScode：

2933290090

Characteristics

PSA：

56.2

XLogP3：

-0.3

Density：

1.4±0.1 g/cm3

Melting Point：

225-227 °C

Boiling Point：

152.4°C at 760 mmHg

Flash Point：

108.0±22.6 °C

Refractive Index：

1.653

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

NI8515000

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-mercaptoimidazole

2-Mercaptoimidazole Use and Manufacturing

Manufacturing Info：

2H-Imidazole-2-thione, 1,3-dihydro-: ACTIVE

Computed Properties

Molecular Weight:100.14
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:100.00951931
Monoisotopic Mass:100.00951931
Topological Polar Surface Area:56.2
Heavy Atom Count:6
Complexity:87
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Mercaptoimidazole

CAS No.: 872-35-5

Content: 99.00%

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