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2-Mercaptopyrimidine

2-Mercaptopyrimidine structure

CAS No:
1450-85-7
Formula:
C4H4N2S
Chemical Name:
2-Mercaptopyrimidine
Synonyms:
2(1H)-Pyrimidinethione;2-Pyrimidinethiol;2-Mercaptopyrimidine;2-Thiopyrimidine;2-Pyrimidinethione;1H-Pyrimidine-2-thione;2-Sulfanylpyrimidine;NSC 193522;NSC 321197;NSC 321198;NSC 48073;1,2-Dihydropyrimidine-2-thione;107646-94-6;19351-11-2;847778-89-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

YELLOW POWDERChEBI: Pyrimidine substituted at C-2 by a sulfanyl group.

Pyrimidine-2-thiol is pyrimidine substituted at C-2 by a sulfanyl group. It has a role as a corrosion inhibitor and an allergen. It is a member of pyrimidines and an aryl thiol.

2-Mercaptopyrimidine Basic Attributes

Molecular Weight：

112.15

Exact Mass：

112.15

EC Number：

215-917-3

NSC Number：

193522|48073

DSSTox ID：

DTXSID6049220

HScode：

29335995

Characteristics

PSA：

56.5

XLogP3：

-1.1

Appearance：

white to light yellow crystalline powder

Density：

1.273 (estimate)

Melting Point：

230 °C (decomp)

Boiling Point：

191.3±23.0 °C(Predicted)

Flash Point：

95.4±22.6 °C

Refractive Index：

1.5500 (estimate)

Storage Conditions：

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

Vapor Pressure：

0.519mmHg at 25°C

Safety Information

Transport codes：

UN 3335

wgk germany：

hazard class code：

R36/37/38

safety instructions：

22-24/25-36/37

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-mercapto pyrimidine

2-Mercaptopyrimidine Use and Manufacturing

Manufacturing Info：

2(1H)-Pyrimidinethione: ACTIVE

Computed Properties

Molecular Weight:112.16
XLogP3:-1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:112.00951931
Monoisotopic Mass:112.00951931
Topological Polar Surface Area:56.5
Heavy Atom Count:7
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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