2- (Phenylsulfanyl) ethane-1-thiol

CAT: 0926-SAA10966-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-SAA10966-01Size:100 mg

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CAS Number

17109-66-9

MDL Number

MFCD11557872

Smiles

C1=CC=C (C=C1) SCCS

Molecular Formula

C8H10S2

Molecular Weight

170.3 g/mol

Controlled

Chemical Information

2-(Phenylsulfanyl)ethane-1-thiol

CAS Number	17109-66-9
PubChem CID	14548839
IUPAC Name	2-phenylsulfanylethanethiol
Molecular Formula	C8H10S2
Molecular Weight	170.3
XLogP	3.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	77

SMILES

C1=CC=C(C=C1)SCCS

InChI

InChI=1S/C8H10S2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

HABQRYRMGGTZFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17109-66-9

CID: 14548839

Formula: C8H10S2

MW: 170.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.3
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	170.02239267
Monoisotopic Mass	170.02239267
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	77.3
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
WDA85283-01	2- (Phenylsulfanyl) ethane-1-sulfonamide
RQB71681-01	1- (2-Chlorophenyl) ethane-1-thiol
CHA74862-01	2- (2-Iodophenyl) ethane-1-thiol
AJB46554-01	1- (2-Methoxyphenyl) ethane-1-thiol
CWB54265-01	1- (2-Fluorophenyl) ethane-1-thiol
HCA66085-01	2- (tert-Butylsulfanyl) ethane-1-thiol
ZAB73949-01	2- (4-Methoxyphenoxy) ethane-1-thiol
YDA48788-01	2- (4-Nitrophenoxy) ethane-1-thiol
IBA74433-01	2- (Methylamino) ethane-1-thiol hydrochloride
FGA17220-01	2- (3-Nitrophenyl) ethane-1-thiol

Catalog	Name
OR33589-01	2- (Phenylsulfanyl) ethan-1-amine
AR-B01246-01	1- (Chloromethyl) -4- (phenylsulfanyl) benzene
PC28125-01	(2S) -1,1,1-Trifluoro-3- (phenylsulfanyl) propan-2-ol
OR1028679-01	1,8-Bis (Phenylsulfanyl) Anthracene-9,10-Dione
sc-332336A	1- (2-Phenylsulfanyl-phenyl) -pyrrole-2,5-dione
sc-342999	2-Methyl-3- (2-nitro-phenylsulfanyl) -indolizine-1-carbaldehyde
sc-303712	1-Methyl-5- (phenylsulfanyl) -3- (trifluoromethyl) -1H-pyrazole-4-carbaldehyde
sc-303688A	1-Methyl-3-phenyl-5- (phenylsulfanyl) -1H-pyrazole-4-carbaldehyde
sc-333401A	1-[2- (4-Chloro-phenylsulfanyl) -phenyl]-pyrrole-2,5-dione
AQ BC 8048-01	3a,6a-dimethyl-3,6-bis (phenylsulfanyl) -1,4-dihydropentalene