2-(4-Methyl-2-thiazolyl)acetonitrile - CAS 19785-39-8

Catalog:	BB015293
Product Name:	2-(4-Methyl-2-thiazolyl)acetonitrile
CAS:	19785-39-8
Synonyms:	2-(4-methyl-2-thiazolyl)acetonitrile; 2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
Description:	2-(4-Methyl-2-thiazolyl)acetonitrile (CAS# 19785-39-8) is a useful research chemical.
Molecular Weight:	138.19
Molecular Formula:	C6H6N2S
Canonical SMILES:	CC1=CSC(=N1)CC#N
InChI:	InChI=1S/C6H6N2S/c1-5-4-9-6(8-5)2-3-7/h4H,2H2,1H3
InChI Key:	XSRRCOBFMZWKJR-UHFFFAOYSA-N
Boiling Point:	253.7 °C at 760 mmHg
Density:	1.205 g/cm³
Appearance:	Solid
MDL:	MFCD03011392
LogP:	1.51758

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219
KR-102128509-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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Related Functional Groups

Oxazole/Thiazole

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[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
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ERRα antagonist-1
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.02516937
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.02516937
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1