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5-Methylthio-1H-tetrazole

5-Methylthio-1H-tetrazole structure

CAS No:
29515-99-9
Formula:
C2H4N4S
Chemical Name:
5-Methylthio-1H-tetrazole
Synonyms:
2H-Tetrazole,5-(methylthio)-;1H-Tetrazole,5-(methylthio)-;Tetrazole,5-(methylthio)-;5-(Methylthio)-2H-tetrazole;5-(Methylthio)tetrazole;5-Methylthio-1H-tetrazole;NSC 141852;5-Methylsulfanyl-1H-tetrazole;29914-17-8;872354-91-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White crystals

5-Methylthio-1H-tetrazole Basic Attributes

Molecular Weight：

116.145

Exact Mass：

116.14

NSC Number：

141852

DSSTox ID：

DTXSID20183708

HScode：

2933990090

Characteristics

PSA：

79.76000

XLogP3：

0.12

Appearance：

White crystals

Density：

1.5±0.1 g/cm3

Melting Point：

150-151 °C

Boiling Point：

293.8±23.0 °C at 760 mmHg

Flash Point：

131.5±22.6 °C

Refractive Index：

1.599

Storage Conditions：

Store at 0-5ºC

Vapor Pressure：

0.00169mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-methylthiotetrazole

Computed Properties

Molecular Weight:116.15
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:116.01566732
Monoisotopic Mass:116.01566732
Topological Polar Surface Area:79.8
Heavy Atom Count:7
Complexity:57.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Methylthio-1H-tetrazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Latest News
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5-Methylthio-1H-tetrazole

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