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4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL

4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL structure

CAS No:
443917-88-2
Formula:
C8H11N3S
Chemical Name:
4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL
Synonyms:
ART-CHEM-BB B015784;CHEMBRDG-BB 3015784;4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL;Albb-003232;4-allyl-5-cyclopropyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE);EU-0046226;IVK/1268110;MLS000517128

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4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL Basic Attributes

Molecular Weight：

181.26

Exact Mass：

181.06700

DSSTox ID：

DTXSID60366058

HScode：

2933990090

Characteristics

PSA：

59.7

XLogP3：

1.63020

Density：

1.37g/cm3

Boiling Point：

243.9ºC at 760 mmHg

Flash Point：

101.3ºC

Refractive Index：

1.706

Water Solubility：

26.9 [ug/mL]

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:181.26
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:181.06736854
Monoisotopic Mass:181.06736854
Topological Polar Surface Area:59.7
Heavy Atom Count:12
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL

SDS

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