2-Bromo-4-methoxybenzenethiol

CAT: 0127-OR1083787-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1083787-01Size:250 mg

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CAS Number

145915-19-1

Purity

97%

Smiles

O (C) c1cc (Br) c (S) cc1

Chemical Information

2-Bromo-4-methoxythiophenol

CAS Number	145915-19-1
PubChem CID	21753014
IUPAC Name	2-bromo-4-methoxybenzenethiol
Molecular Formula	C7H7BrOS
Molecular Weight	219.10
XLogP	2.7
Topological Polar Surface Area	10.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

COC1=CC(=C(C=C1)S)Br

InChI

InChI=1S/C7H7BrOS/c1-9-5-2-3-7(10)6(8)4-5/h2-4,10H,1H3

InChIKey

LBDOFNJKOJZMHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145915-19-1

CID: 21753014

Formula: C7H7BrOS

MW: 219.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.10
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	217.94010
Monoisotopic Mass	217.94010
Topological Polar Surface Area	10.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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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