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4-BENZYL-5-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL

4-BENZYL-5-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL structure

CAS No:
91129-84-9
Formula:
C10H11N3S
Chemical Name:
4-BENZYL-5-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL

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4-BENZYL-5-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL Basic Attributes

Molecular Weight：

205.28

Exact Mass：

205.06700

DSSTox ID：

DTXSID00352334

HScode：

2933990090

Characteristics

PSA：

59.7

XLogP3：

1.92350

Density：

1.24g/cm3

Boiling Point：

303.1ºC at 760mmHg

Flash Point：

137.1ºC

Refractive Index：

1.659

Water Solubility：

10.9 [ug/mL]

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Danger|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, P310, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:205.28
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:205.06736854
Monoisotopic Mass:205.06736854
Topological Polar Surface Area:59.7
Heavy Atom Count:14
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BENZYL-5-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-BENZYL-5-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL

SDS

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