4-Chloro-3- (methylthio) phenol

CAT: 0127-OR1063538-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063538-01Size:50 mg

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CAS Number

473255-64-0

MDL Number

MFCD16998955

Purity

98%

Smiles

OC1=CC=C(Cl)C(SC)=C1

Chemical Information

4-Chloro-3-(methylthio)phenol

CAS Number	473255-64-0
PubChem CID	21877186
IUPAC Name	4-chloro-3-methylsulfanylphenol
Molecular Formula	C7H7ClOS
Molecular Weight	174.65
XLogP	3.2
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

CSC1=C(C=CC(=C1)O)Cl

InChI

InChI=1S/C7H7ClOS/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,1H3

InChIKey

KFOOSZAEJSXBFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 473255-64-0

CID: 21877186

Formula: C7H7ClOS

MW: 174.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.65
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	173.9906137
Monoisotopic Mass	173.9906137
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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
OR1082813	3-Chloro-4- (methylthio) phenol
OR1097623-01	4-Chloro-2- (methylthio) phenol
PC1017079-01	4-chloro-3-fluoro-2- (methylthio) phenol
PC1017078-01	3-chloro-4-fluoro-5- (methylthio) phenol
PC1017080-01	4-Chloro-2-fluoro-3- (methylthio) phenol
OR1100631-01	2-chloro-3- (methylthio) phenol
OR0778-01	4- (Methylthio) phenol
PC1017159-01	4-chloro-5-fluoro-2- (methylthio) phenol
PC1017214-01	2-Chloro-4-fluoro-6- (methylthio) phenol
OR1049053-01	4-Amino-3- (methylthio) phenol

Catalog	Name
TRC-M320860-10G	3-Methyl-4-(methylthio)phenol
sc-231844	3-Methyl-4- (methylthio) phenol
sc-494246	4-chloro-2- ({[3- (methylthio) phenyl]amino}methyl) phenol
sc-492909	4-Chloro-2- ({[4- (methylthio) benzyl]amino}methyl) phenol
sc-493511	4-chloro-2- ((E) -{[3- (methylthio) phenyl]imino}methyl) phenol
TRC-D474810-1G	3,5-Dimethyl-4-(methylthio)phenol
160824	3,5-Dimethyl-4- (methylthio) phenol
sc-493512	4-chloro-2- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol
sc-493853	4-chloro-2- ((E) -{[4- (methylthio) benzyl]imino}methyl) phenol
426392-01	3-Methyl-4- (methylthio) phenol discontinued. See 283401