2- ((Phenylthio) methyl) oxirane

CAT: 0127-OR1048184-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1048184-01Size:100 mg

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CAS Number

5296-21-9

MDL Number

MFCD00022345

Purity

95%

Smiles

C1(CSC2=CC=CC=C2)OC1

Chemical Information

2-((Phenylsulfanyl)methyl)oxirane

CAS Number	5296-21-9
PubChem CID	11094998
IUPAC Name	2-(phenylsulfanylmethyl)oxirane
Molecular Formula	C9H10OS
Molecular Weight	166.24
XLogP	2.1
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	121

SMILES

C1C(O1)CSC2=CC=CC=C2

InChI

InChI=1S/C9H10OS/c1-2-4-9(5-3-1)11-7-8-6-10-8/h1-5,8H,6-7H2

InChIKey

MYBWNWNBXBBZKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5296-21-9

CID: 11094998

Formula: C9H10OS

MW: 166.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.24
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	166.04523611
Monoisotopic Mass	166.04523611
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR30244	Methyl 2- (phenylthio) acetate
OR1091942-01	2-Methyl-2- (phenylthio) propanenitrile
OR28284	2-[4- (4-methoxy-3-{4-[ (phenylthio) methyl]phenoxy}phenyl) butyl]oxirane
OR1086028-01	2-Methyl-5- (phenylthio) benzonitrile
OR1062763-01	2-Methyl-2- (phenylthio) propanoic acid
OR1049555-01	2- ((Benzhydryloxy) methyl) oxirane
BUP13997-01	[ (2-Methoxyphenoxy) Methyl]Oxirane
OR55240-01	Methyl oxirane-2-carboxylate
OR1060983-01	2- ((Octyloxy) methyl) oxirane
PC1021795-01	2-[ (2-Fluorophenyl) methyl]oxirane

Catalog	Name
GTR19252735-01	Methyl (phenylthio) acetate
sc-276954	4-[ (Phenylthio) methyl]aniline
TRC-P335866-50MG	[(Phenylmethoxy)methyl]oxirane-13C3
TRC-M324560-100MG	Methyl Oxirane-2-carboxylate
GTR19166222-01	[ (2-Methoxyphenoxy) Methyl]Oxirane
FAA29621-01	2-[ (Phenylsulfanyl) methyl]oxirane
417375-01	[ (2-Cyclopropylphenoxy) methyl]-oxirane
MBS6087026-01	17alpha-Methyl-4-[(phenylthio)methyl]testosterone
sc-340766	2-[ (benzhydryloxy) methyl]oxirane
AR-N01521-01	2- ((methylthio) methyl) oxirane