3-Chloroisothiazole

CAT: 0127-OR918982Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR918982Size:1 g

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CAS Number

14217-66-4

MDL Number

MFCD12827705

Purity

95%

Smiles

Clc1ccsn1

Chemical Information

3-Chloro-1,2-thiazole

CAS Number	14217-66-4
PubChem CID	12495468
IUPAC Name	3-chloro-1,2-thiazole
Molecular Formula	C3H2ClNS
Molecular Weight	119.57
XLogP	1.9
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	50

SMILES

C1=CSN=C1Cl

InChI

InChI=1S/C3H2ClNS/c4-3-1-2-6-5-3/h1-2H

InChIKey

NDSJUDPCTYRQFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14217-66-4

CID: 12495468

Formula: C3H2ClNS

MW: 119.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	119.57
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	118.9596479
Monoisotopic Mass	118.9596479
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	50.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR321363-01	5-Chloroisothiazol-3-ol
OR1065016-01	2- (tert-Butyl) -5-chloroisothiazol-3 (2H) -one
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PC1007482-01	3,3,3-Trifluoropropanehydrazide
OR1043029-01	3,3',3''-Nitrilotripropanamide
PC901625	3,3,3-Trifluoropropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine

Catalog	Name
PAA21766-01	3-Chloroisothiazole
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
160739	3,3,3-Trimethoxypropanenitrile