2-Chlorobenzylmercaptan

CAT: 0127-OR1010398-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1010398-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

39718-00-8

MDL Number

MFCD00004868

Purity

98%

Smiles

SCC1=CC=CC=C1Cl

Chemical Information

2-Chlorobenzyl mercaptan

CAS Number	39718-00-8
PubChem CID	580759
IUPAC Name	(2-chlorophenyl)methanethiol
Molecular Formula	C7H7ClS
Molecular Weight	158.65
XLogP	2.6
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

C1=CC=C(C(=C1)CS)Cl

InChI

InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChIKey

WWFIIZLHSNBNTC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39718-00-8

CID: 580759

Formula: C7H7ClS

MW: 158.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.65
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	157.9956991
Monoisotopic Mass	157.9956991
Topological Polar Surface Area	1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
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
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate
PC500825	2- (2,2,2-Trifluoroethoxy) iodobenzene

Catalog	Name
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
290343-01	2,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)
MBS6114780-01	2',2'-Difluoro-2'-deoxyuridine (2'-Deoxy-2',2'-difluorouridine)
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
BLG-H038-001	2′,2”,2”’,2””,2””’,2”””-Hexa-F-c-hexadAMP