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5-amino-6-chloro-1H-pyrimidine-4-thione

5-amino-6-chloro-1H-pyrimidine-4-thione structure

CAS No:
54851-35-3
Formula:
C4H4ClN3S
Chemical Name:
5-amino-6-chloro-1H-pyrimidine-4-thione
Synonyms:
5-Amino-6-chloropyrimidine-4-thiol;4-chloro-5-amino-6-mercaptopyrimidine;NSC51098;SCHEMBL1846011;CTK5A2663;DTXSID40390992;ETHYL4-FLUOROBENZOYLFORMATE;ZINC1682353;NSC-51098;AKOS005166835

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5-amino-6-chloro-1H-pyrimidine-4-thione Basic Attributes

Molecular Weight：

161.607

Exact Mass：

160.98100

NSC Number：

51098

DSSTox ID：

DTXSID40390992

HScode：

2933599090

Characteristics

PSA：

86.79000

XLogP3：

1.95600

Density：

1.74g/cm3

Boiling Point：

213.6ºC at 760 mmHg

Flash Point：

83ºC

Refractive Index：

1.769

Safety Information

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.61
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:160.9814460
Monoisotopic Mass:160.9814460
Topological Polar Surface Area:82.5
Heavy Atom Count:9
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-amino-6-chloro-1H-pyrimidine-4-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-amino-6-chloro-1H-pyrimidine-4-thione

SDS

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