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3-Isothiazolemethanamine

3-Isothiazolemethanamine structure

CAS No:
40064-68-4
Formula:
C4H6N2S
Chemical Name:
3-Isothiazolemethanamine
Synonyms:
3-Isothiazolemethanamine;isothiazol-3-ylmethanamine;1,2-thiazol-3-ylmethanamine;(ISOTHIAZOL-3-YL)METHANAMINE;3-isothiazolylmethanamine;SCHEMBL1207464;CTK1D5587;DTXSID40627215;1-(1,2-Thiazol-3-yl)methanamine;ZINC71617378

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3-Isothiazolemethanamine Basic Attributes

Molecular Weight：

114.16900

Exact Mass：

114.02500

DSSTox ID：

DTXSID40627215

HScode：

2934999090

Characteristics

PSA：

67.15000

XLogP3：

1.30210

Density：

1.239

Boiling Point：

120ºC

Flash Point：

27ºC

Refractive Index：

1.592

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:114.17
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:114.02516937
Monoisotopic Mass:114.02516937
Topological Polar Surface Area:67.2
Heavy Atom Count:7
Complexity:57.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Isothiazolemethanamine

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-Isothiazolemethanamine

SDS

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