Thiophenol 98% For Synthesis

CAT: 1278-02685 00500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1278-02685 00500Size:500 mL

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CAS Number

108-98-5

HS Code

29309070

Packaging Group

Chemical Information

Thiophenol

Thiophenol is a thiol in which the sulfanyl group is attached to a phenyl group.

CAS Number	108-98-5
PubChem CID	7969
IUPAC Name	benzenethiol
Molecular Formula	C6H6S
Molecular Weight	110.18
XLogP	2.5
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	46

SMILES

C1=CC=C(C=C1)S

InChI

InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H

InChIKey

RMVRSNDYEFQCLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-98-5

CID: 7969

Formula: C6H6S

MW: 110.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.18
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	110.01902136
Monoisotopic Mass	110.01902136
Topological Polar Surface Area	1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.1
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

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Catalog	Name
268502500	Thiophenol 98% For Synthesis
243395-01	Thiophenol for Synthesis 98.0%
009075	2-Amino Thiophenol for Synthesis (2-Mercaptoaniline)
120001	THIOPHENOL
467558-01	Thiophenol discontinued
T11725	Thiophenol 97%
S-3495	Thiophenol - 1ML
sc-260595	3- (Trifluoromethoxy) thiophenol
sc-256659	4- (Trifluoromethoxy) thiophenol
OR11379	4- (Methylthio) thiophenol