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5-Mercapto-1-methyltetrazole

5-Mercapto-1-methyltetrazole structure

CAS No:
13183-79-4
Formula:
C2H4N4S
Chemical Name:
5-Mercapto-1-methyltetrazole
Synonyms:
5H-Tetrazole-5-thione,1,2-dihydro-1-methyl-;1H-Tetrazole-5-thiol,1-methyl-;2-Tetrazoline-5-thione,1-methyl-;1,2,3,4-Tetrazole-5-thiol,1-methyl-;1,2-Dihydro-1-methyl-5H-tetrazole-5-thione;1-Methyl-5-mercapto-1,2,3,4-tetrazole;1-Methyltetrazole-5-thiol;5-Mercapto-1-methyltetrazole;1-Methyl-5-mercaptotetrazole;1-Methyl-5-tetrazolethione;1-Methyl-1H-tetrazole-5-thiol;1-Methyl-1,2,3,4-tetrazole-5-thiol;5-Mercapto-1-methyl-1,2,3,4-tetrazole;5-Mercapto-1-methyl-1H-tetrazole;1-Methyl-5-tetrazolinethione;1-Methyl-1,2,3,4-tetrazoline-5-thione;1-Methyl-5-mercapto-1H-tetrazole;T 1982F;1-Methyl-1H-tetrazol-5-thiol;1-Methyl-5-thiotetrazole;N-Methyl-5-tetrazolethiol;NSC 520787;[1-Methyl-1H-1H-tetrazol-5-yl]thiol;1-Methyl-1H-1,2,3,4-tetrazole-5-thiol;1-Methyl-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione;1-Methyl-2H-tetrazole-5-thione;69713-31-1
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

White Solid

5-Mercapto-1-methyltetrazole Basic Attributes

Molecular Weight：

116.14

Exact Mass：

116.14

EC Number：

236-132-2

UNII：

ZRB9LL6WTB

NSC Number：

520787

DSSTox ID：

DTXSID9051662

HScode：

29339900

Characteristics

PSA：

72.1

XLogP3：

1.3

Appearance：

white crystalline powder

Density：

1.420 (estimate)

Melting Point：

126 °C

Boiling Point：

111.6±23.0 °C(Predicted)

Flash Point：

97.2±22.6 °C

Refractive Index：

1.5605 (estimate)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

22.5mmHg at 25°C

Safety Information

Transport codes：

transport forbidden

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-37/39-24/25

RTECS Number：

XF7600000

Marks：

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (14.49%): 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|Aggregated GHS information provided by 69 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-methyl-5-mercaptotetrazole

5-Mercapto-1-methyltetrazole Use and Manufacturing

Uses

An impurity of Cefoperazone.

Manufacturing Info：

5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-: ACTIVE

Computed Properties

Molecular Weight:116.15
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:116.01566732
Monoisotopic Mass:116.01566732
Topological Polar Surface Area:72.1
Heavy Atom Count:7
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Cefoperazone Impurity C.

CAS No.: 13183-79-4

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CAS No.: 13183-79-4

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Guide of 5-Mercapto-1-methyltetrazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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5-Mercapto-1-methyltetrazole

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