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4-ALLYL-5-(3-NITROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

4-ALLYL-5-(3-NITROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL structure

CAS No:
17050-61-2
Formula:
C11H10N4O2S
Chemical Name:
4-ALLYL-5-(3-NITROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Synonyms:
4-allyl-5-(3-nitrophenyl)-4h-1,2,4-triazole-3-thiol;MLS000709256;SMR000289923;5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol;5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol;Oprea1_193429;Oprea1_708048;cid_720910;CHEMBL1499401;BDBM80228

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4-ALLYL-5-(3-NITROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL Basic Attributes

Molecular Weight：

262.29

Exact Mass：

262.05200

DSSTox ID：

DTXSID70352184

HScode：

2933990090

Characteristics

PSA：

106

XLogP3：

2.85120

Density：

1.4g/cm3

Boiling Point：

375.3ºC at 760 mmHg

Flash Point：

180.8ºC

Refractive Index：

1.688

Vapor Pressure：

7.85E-06mmHg at 25°C

Computed Properties

Molecular Weight:262.29
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:262.05244675
Monoisotopic Mass:262.05244675
Topological Polar Surface Area:106
Heavy Atom Count:18
Complexity:404
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-ALLYL-5-(3-NITROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

Basic Attributes
Characteristics
Computed Properties

4-ALLYL-5-(3-NITROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

SDS

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