[4- (Ethynylsulfanyl) phenyl]methanol

CAT: 0926-DXC60175-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DXC60175-01Size:50 mg

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CAS Number

1803601-75-3

MDL Number

MFCD28012319

Smiles

C#CSC1=CC=C (C=C1) CO

Molecular Formula

C9H8OS

Molecular Weight

164.23 g/mol

Controlled

Chemical Information

[4-(Ethynylsulfanyl)phenyl]methanol

CAS Number	1803601-75-3
PubChem CID	75525793
IUPAC Name	(4-ethynylsulfanylphenyl)methanol
Molecular Formula	C9H8OS
Molecular Weight	164.23
XLogP	2.2
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	150

SMILES

C#CSC1=CC=C(C=C1)CO

InChI

InChI=1S/C9H8OS/c1-2-11-9-5-3-8(7-10)4-6-9/h1,3-6,10H,7H2

InChIKey

RDDKZTZGQNMEQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803601-75-3

CID: 75525793

Formula: C9H8OS

MW: 164.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.23
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.02958605
Monoisotopic Mass	164.02958605
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	150
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
RSC75622-01	[2-Bromo-4- (ethylsulfanyl) phenyl]methanol
HAA49477-01	[4- (Dimethylamino) phenyl] (phenyl) methanol
SDC85291-01	[4- (Propylsulfanyl) phenyl]methanol
RDA27165-01	[4- (Morpholinomethyl) phenyl]methanol
AFA73444-01	[4- (Diethoxymethyl) phenyl]methanol
DAA25638-01	[4- (Hexyloxy) phenyl]methanol
DAA44898-01	[4- (Benzylsulfanyl) phenyl]methanol
CMA32077-01	[4- (Ethoxymethoxy) phenyl]methanol
MDB31361-01	[4- (Cyclopropylmethoxy) phenyl]methanol
MCA17289-01	(4-Methoxymethyl-phenyl) -methanol

Catalog	Name
TRC-B126190-250MG	(Ethynylsulfanyl)benzene
OR29308-01	Cyclohexyl (phenyl) methanol
OR25799	(diphenylphosphoryl) (phenyl) methanol
OR1090453-01	(3- (methylthio) phenyl) (phenyl) methanol
OR1089985-01	(3- (benzyloxy) phenyl) (phenyl) methanol
JH919509	(2- (Hydroxymethyl) phenyl) (phenyl) methanol
PC1011993-01	(3- (difluoromethyl) phenyl) (phenyl) methanol
OR1080992-01	(3- (cyclopropylmethoxy) phenyl) (phenyl) methanol
OR1080389-01	(2- (methoxymethyl) phenyl) (phenyl) methanol
OR1088668-01	(2- (methylthio) phenyl) (phenyl) methanol