(3-chlorophenyl) (propyl) sulfane

CAT: 0127-OR1097170-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097170-01Size:250 mg

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CAS Number

1713160-58-7

MDL Number

MFCD26792631

Purity

97%

Smiles

C1cc (cc (c1) SCCC) Cl

Chemical Information

m-Chlorophenyl propyl sulfide

CAS Number	1713160-58-7
PubChem CID	21612721
IUPAC Name	1-chloro-3-propylsulfanylbenzene
Molecular Formula	C9H11ClS
Molecular Weight	186.70
XLogP	4
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	106

SMILES

CCCSC1=CC(=CC=C1)Cl

InChI

InChI=1S/C9H11ClS/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7H,2,6H2,1H3

InChIKey

BCYBNWJILXCCIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1713160-58-7

CID: 21612721

Formula: C9H11ClS

MW: 186.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.70
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	186.0269992
Monoisotopic Mass	186.0269992
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	106
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
OR1097119-01	(4-chlorophenyl) (propyl) sulfane
OR1098692-01	(3-bromophenyl) (propyl) sulfane
OR1091555-01	(3-isopropoxyphenyl) (propyl) sulfane
OR1091535-01	(3-ethoxyphenyl) (propyl) sulfane
OR1098287-01	(3-chlorophenyl) (isopropyl) sulfane
PC1019584-01	(3,5-difluorophenyl) (propyl) sulfane
PC1025778-01	(3,4-difluorophenyl) (propyl) sulfane
OR1095611-01	Phenyl (propyl) sulfane
PC1019641-01	(3-bromo-2-fluorophenyl) (propyl) sulfane
OR1090687-01	(3-bromo-5-methylphenyl) (propyl) sulfane

Catalog	Name
TAA65549-01	[3- (3-chlorophenyl) propyl]amine
TRC-C430350-500MG	3-(4-Chlorophenyl)propyl Mesylate
sc-309977	3- (4'-Chlorophenyl) propyl chloride
AR-P33699-01	1- (3- (4-Chlorophenyl) propyl) Piperidine
sc-330817	N-[3- (2-Chlorophenyl) propyl]-3-ethoxyaniline
IEA01087-01	[ (4-Chlorophenyl) methyl][3- (diethylamino) propyl]amine
TRC-C242110-100MG	3-(4-Chlorophenyl) Propyl 3-(Piperidin-1-yl) Propanoate
TRC-C358150-100MG	1-(3-Chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine
sc-330816	N-[3- (2-Chlorophenyl) propyl]-3- (2-methoxyethoxy) -aniline
sc-330818	N-[3- (2-Chlorophenyl) propyl]-4- (phenethyloxy) aniline