2- (4-Chlorophenyl) Benzothiazole

CAT: 0127-OR1009766-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1009766-01Size:250 mg

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CAS Number

6265-91-4

Purity

98%

Smiles

Clc1ccc(cc1)c2nc3ccccc3s2

Chemical Information

2-(4'-Chlorophenyl)benzothiazole

CAS Number	6265-91-4
PubChem CID	95752
IUPAC Name	2-(4-chlorophenyl)-1,3-benzothiazole
Molecular Formula	C13H8ClNS
Molecular Weight	245.73
XLogP	4.9
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	240

SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H8ClNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H

InChIKey

GEYFXQNOTPBYPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6265-91-4

CID: 95752

Formula: C13H8ClNS

MW: 245.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.73
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	245.0065981
Monoisotopic Mass	245.0065981
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	240
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
OR1063165-01	2- (4-Methoxyphenyl) benzothiazole
OR1078830-01	2- (2,4-Dinitrophenylthio) benzothiazole
OR1091926-01	2-Benzothiazolyl (4-chlorophenyl) methanone
OR87869-01	2,4,6-Trichloro-benzothiazole
OR470552	(4-Bromo-2-chlorophenyl) (4-chlorophenyl) methanone
OR480507-01	2,4-dichloro-1,3-benzothiazole
OR1028212	2- (Trimethylsilyl) Benzothiazole
OR80651-01	2- (Morpholinothio) benzothiazole
OR920222-01	2- (Methylthio) benzothiazole
OR345030	2- (4-Chlorophenyl) -2',4'-dihydroxyacetophenone

Catalog	Name
sc-486248	2- (4-Chlorophenyl) benzothiazole
GTR19254171-01	Benzothiazole, 4-bromo-
sc-484652	2- (4-Bromophenyl) benzothiazole
FM75874-01	2- (4-Methoxyphenyl) benzothiazole
sc-498674	2,4-Dimethyl-benzothiazole
FH KO 097D-01	2-[ (E) -2- (4-chlorophenyl) ethenyl]-2,3-dihydro-1,3-benzothiazole
DAA62232	2-Chloro-4-methyl-benzothiazole
TPL0348-01	Benzothiazole, 4-bromo- (7CI,8CI)
430620-01	4-Bromo-1,3-benzothiazole
sc-485019	2- (2,4-Dinitrophenylthio) benzothiazole