(4-bromophenyl) (vinyl) sulfane

CAT: 0127-OR1101311-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1101311-01Size:250 mg

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CAS Number

16411-18-0

Purity

97%

Smiles

C=CSC1=CC=C (C=C1) Br

Chemical Information

1-Bromo-4-(ethenylsulfanyl)benzene

CAS Number	16411-18-0
PubChem CID	14145359
IUPAC Name	1-bromo-4-ethenylsulfanylbenzene
Molecular Formula	C8H7BrS
Molecular Weight	215.11
XLogP	3.6
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	106

SMILES

C=CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H7BrS/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2

InChIKey

JYXSWPVIKXRRFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16411-18-0

CID: 14145359

Formula: C8H7BrS

MW: 215.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.11
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	213.94518
Monoisotopic Mass	213.94518
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	106
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
OR1098761-01	(4-bromophenyl) (cyclohexyl) sulfane
OR1094959-01	(4-bromophenyl) (cyclopropylmethyl) sulfane
OR1012436-01	Bis (4-Bromophenyl) Sulfane
OR1036050-01	Benzyl (4-bromophenyl) sulfane
OR1095700	(4-bromophenyl) (butyl) sulfane
OR1095597-01	(4-Bromophenyl) (isobutyl) sulfane
OR1096666-01	(4-bromophenyl) (methoxymethyl) sulfane
OR1098419	(4-bromophenyl) (phenyl) sulfane
OR1098394-01	Allyl (4-bromophenyl) sulfane
OR1083257-01	((4-bromophenyl) ethynyl) (methyl) sulfane

Catalog	Name
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