(3-chlorophenyl) (isopropyl) sulfane

CAT: 0127-OR1098287-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1098287-01Size:250 mg

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CAS Number

55698-06-1

MDL Number

MFCD26792618

Purity

95%

Smiles

C1 (cccc (c1) SC (C) C) Cl

Chemical Information

1-Chloro-3-(propan-2-ylsulfanyl)benzene

CAS Number	55698-06-1
PubChem CID	12763281
IUPAC Name	1-chloro-3-propan-2-ylsulfanylbenzene
Molecular Formula	C9H11ClS
Molecular Weight	186.70
XLogP	3.9
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	114

SMILES

CC(C)SC1=CC(=CC=C1)Cl

InChI

InChI=1S/C9H11ClS/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3

InChIKey

IRFZMQFCTLYYHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55698-06-1

CID: 12763281

Formula: C9H11ClS

MW: 186.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.70
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	186.0269992
Monoisotopic Mass	186.0269992
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	114
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
OR1095461-01	(3-bromophenyl) (isopropyl) sulfane
OR1087948-01	(3-ethylphenyl) (isopropyl) sulfane
OR1091138-01	Isopropyl (3-isopropyl-4-methoxyphenyl) sulfane
OR1097170-01	(3-chlorophenyl) (propyl) sulfane
OR1091230-01	(3- (benzyloxy) phenyl) (isopropyl) sulfane
OR1091184-01	Isopropyl 3- (3-chlorophenyl) -3-hydroxypropanoate
OR1091760-01	Isopropyl 3- (4-chlorophenyl) propiolate
OR1095319-01	(3-Isopropyl-5-methylphenyl) (methyl) sulfane
OR1090270-01	(3-Isopropyl-2-methoxyphenyl) (methyl) sulfane
OR1091127-01	Ethyl (3-isopropyl-4-methoxyphenyl) sulfane

Catalog	Name
TRC-C378530-50MG	1-(3-Chlorophenyl)-5-isopropyl Biguanide Hydrochloride
sc-353644A	Isopropyl 3-amino-3- (2-chlorophenyl) propanoate hydrochloride
sc-501185	1- (3-Chlorophenyl) -5-isopropyl Biguanide Hydrochloride
I09640	Isopropyl N- (m-chlorophenyl) carbamate
sc-326655A	(Chloromethyl) (4-chlorophenyl) dioxo-lambda~6~-sulfane
sc-327966	Isopropyl 2-amino-4- (4-chlorophenyl) thiophene-3-carboxylate
sc-302363	1- (4-Chlorophenyl) -3-isopropyl-1H-pyrazol-5-ol
sc-327957	Isopropyl 2-amino-4- (2-chlorophenyl) thiophene-3-carboxylate
sc-332554	1- (3-chlorophenyl) -5-isopropyl-1H-pyrazole-4-carboxylic acid
424684-01	(3-Bromophenyl) (cyclopropylmethyl) sulfane