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5-Ethylthio-1H-tetrazole

5-Ethylthio-1H-tetrazole structure

CAS No:
89797-68-2
Formula:
C3H6N4S
Chemical Name:
5-Ethylthio-1H-tetrazole
Synonyms:
2H-Tetrazole,5-(ethylthio)-;Tetrazole,5-(ethylthio)-;1H-Tetrazole,5-(ethylthio)-;5-(Ethylthio)-2H-tetrazole;5-Ethylthio-1H-tetrazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White crystals

5-Ethylthio-1H-tetrazole Basic Attributes

Molecular Weight：

130.171

Exact Mass：

130.17

HScode：

2933990090

Characteristics

PSA：

79.76000

XLogP3：

0.65

Appearance：

White crystals

Density：

1.4±0.1 g/cm3

Melting Point：

72-80 °C(lit.)

Boiling Point：

292.3±23.0 °C at 760 mmHg

Flash Point：

130.6±22.6 °C

Refractive Index：

1.575

Storage Conditions：

Store at 0-5ºC

Vapor Pressure：

0.00184mmHg at 25°C

Safety Information

Transport codes：

UN 1648 3/PG 2

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S35-S36/37-S16

Marks：

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 51 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:130.17
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:130.03131738
Monoisotopic Mass:130.03131738
Topological Polar Surface Area:79.8
Heavy Atom Count:8
Complexity:68.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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