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4-Thiouracil

4-Thiouracil structure

CAS No:
591-28-6
Formula:
C4H4N2OS
Chemical Name:
4-Thiouracil
Synonyms:
2(1H)-Pyrimidinone,3,4-dihydro-4-thioxo-;Uracil,4-thio-;3,4-Dihydro-4-thioxo-2(1H)-pyrimidinone;4-Thiouracil;4-Thiopyrimidin-2-one;NSC 43288;2-Hydroxy-4-mercaptopyrimidine;107646-91-3;107646-90-2;4401-50-7;4401-51-8;4401-52-9
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

yellow powder

4-Thiouracil Basic Attributes

Molecular Weight：

128.149

Exact Mass：

128.15

NSC Number：

43288

DSSTox ID：

DTXSID50207840

HScode：

2933599090

Characteristics

PSA：

73.2

XLogP3：

-0.60

Density：

1.5±0.1 g/cm3

Melting Point：

289-290 °C (decomp) @ Solvent: Water

Boiling Point：

388.0±34.0 °C at 760 mmHg

Flash Point：

188.4±25.7 °C

Refractive Index：

1.671

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S36

Marks：

Xn: Harmful;

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-thiouracil

Computed Properties

Molecular Weight:128.15
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:128.00443393
Monoisotopic Mass:128.00443393
Topological Polar Surface Area:73.2
Heavy Atom Count:8
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 591-28-6

Grade: Pharmaceutical Grade

Content: 99%

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