2- (Ethylthio) -α, α-dimethylbenzenemethanol

CAT: 0127-OR1086611-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1086611-01Size:250 mg

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CAS Number

191719-87-6

Purity

95%

Smiles

C (C) (C) (O) c1c (SCC) cccc1

Chemical Information

2-[2-(Ethylthio)phenyl]-2-propanol

CAS Number	191719-87-6
PubChem CID	10488144
IUPAC Name	2-(2-ethylsulfanylphenyl)propan-2-ol
Molecular Formula	C11H16OS
Molecular Weight	196.31
XLogP	2.5
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	156

SMILES

CCSC1=CC=CC=C1C(C)(C)O

InChI

InChI=1S/C11H16OS/c1-4-13-10-8-6-5-7-9(10)11(2,3)12/h5-8,12H,4H2,1-3H3

InChIKey

IAIJMOSTXHBTJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 191719-87-6

CID: 10488144

Formula: C11H16OS

MW: 196.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.31
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	196.09218630
Monoisotopic Mass	196.09218630
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156
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
OR1083178-01	4- (Ethylthio) -α, α-dimethylbenzenemethanol
OR1085551-01	2- (Cyclopropylmethoxy) -α, α-dimethylbenzenemethanol
OR1095190-01	α-Ethenyl-2,5-dimethylbenzenemethanol
OR1086495-01	2,5-Diethyl-α, α-dimethylbenzenemethanol
OR1080825-01	α-Cyclohexyl-2,5-dimethylbenzenemethanol
OR1081598-01	α, α-Diethyl-2,5-dimethylbenzenemethanol
OR1096728-01	3-Chloro-α,2-dimethylbenzenemethanol
OR1084018-01	α-Ethenyl-2,3-dimethylbenzenemethanol
OR1082464-01	α-Hexyl-2,4-dimethylbenzenemethanol
OR1081164-01	α-Cyclohexyl-2,4-dimethylbenzenemethanol