(2-Cyclopropylphenyl) methanethiol

CAT: 0926-ELC54551-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ELC54551-01Size:50 mg

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CAS Number

1529545-51-4

MDL Number

MFCD23806993

Smiles

C1CC1C2=CC=CC=C2CS

Molecular Formula

C10H12S

Molecular Weight

164.27 g/mol

Controlled

Chemical Information

(2-Cyclopropylphenyl)methanethiol

CAS Number	1529545-51-4
PubChem CID	75356363
IUPAC Name	(2-cyclopropylphenyl)methanethiol
Molecular Formula	C10H12S
Molecular Weight	164.27
XLogP	2.9
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

C1CC1C2=CC=CC=C2CS

InChI

InChI=1S/C10H12S/c11-7-9-3-1-2-4-10(9)8-5-6-8/h1-4,8,11H,5-7H2

InChIKey

FQYNOEKHXCNSPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1529545-51-4

CID: 75356363

Formula: C10H12S

MW: 164.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.27
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	164.06597156
Monoisotopic Mass	164.06597156
Topological Polar Surface Area	1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
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
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DKB20482-01	(2,6-Difluorophenyl) methanethiol
HKC67878-01	2- (3-Cyclopropylphenyl) oxirane
XAA18298-01	(2,5-Dimethylphenyl) methanethiol
SAA79902-01	(2,5-Dichlorophenyl) methanethiol
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Catalog	Name
PC108797-01	(2-Fluorophenyl) Methanethiol
OR1053849-01	(2-Nitrophenyl) methanethiol
OR30176-01	(2-Methylphenyl) methanethiol
OR51959	(2-Methoxyphenyl) methanethiol
sc-343268	(2,2-dichlorocyclopropyl) methanethiol
PC48785	(2,6-Difluorophenyl) methanethiol
OR1047793-01	(2,6-Dichlorophenyl) methanethiol
PC111792-01	(2,3-Difluorophenyl) methanethiol
OR1069865-01	(2,4-Dimethoxyphenyl) methanethiol
OR91121-01	(2,4,6-Trimethoxyphenyl) methanethiol