Structure

2-(Bromobenzyl) mercaptan

CAS
143888-85-1
Catalog Number
ACM143888851
Category
Bromine Series
Molecular Weight
203.10
Molecular Formula
C7H7BrS

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Specification

Synonyms
2-Bromobenzyl mercaptan, (2-Bromobenzyl) mercaptan, 143888-85-1, 2-Bromobenzylmercaptan, (2-bromophenyl)methanethiol, 2-(bromobenzyl) mercaptan, SBB066540, (2-bromophenyl)methane-1-thiol, ZINC04244657, PubChem6847, AC1MCNAL, ACMC-20ao1u, (2-bromobenzyl)mercaptan, 2-Bromobenzenemethanethiol, (2-Bromo-phenyl)-methanethiol, 593982_ALDRICH, CTK3J1404, MolPort-000-160-101, AKOS009076010, AG-D-86702
IUPAC Name
(2-bromophenyl)methanethiol
Canonical SMILES
C1=CC=C(C(=C1)CS)Br
InChI Key
UJNSDLRPHRMVGZ-UHFFFAOYSA-N
Boiling Point
256-257ºC
Flash Point
>110ºC
Density
1.527
Exact Mass
201.94500
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
1
Packing Group
III
Safety Description
S23-S24/25
WGK Germany
3
What is the molecular formula of 2-(Bromobenzyl) mercaptan?

The molecular formula of 2-(Bromobenzyl) mercaptan is C7H7BrS.

What is the molecular weight of 2-(Bromobenzyl) mercaptan?

The molecular weight of 2-(Bromobenzyl) mercaptan is 203.10 g/mol.

What is the IUPAC name of 2-(Bromobenzyl) mercaptan?

The IUPAC name of 2-(Bromobenzyl) mercaptan is (2-bromophenyl)methanethiol.

What is the CAS number of 2-(Bromobenzyl) mercaptan?

The CAS number of 2-(Bromobenzyl) mercaptan is 143888-85-1.

What is the XLogP3-AA value of 2-(Bromobenzyl) mercaptan?

The XLogP3-AA value of 2-(Bromobenzyl) mercaptan is 2.7.

How many hydrogen bond donor counts does 2-(Bromobenzyl) mercaptan have?

2-(Bromobenzyl) mercaptan has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-(Bromobenzyl) mercaptan have?

2-(Bromobenzyl) mercaptan has 1 hydrogen bond acceptor count.

How many rotatable bond counts does 2-(Bromobenzyl) mercaptan have?

2-(Bromobenzyl) mercaptan has 1 rotatable bond count.

What is the topological polar surface area of 2-(Bromobenzyl) mercaptan?

The topological polar surface area of 2-(Bromobenzyl) mercaptan is 1Ų.

Is 2-(Bromobenzyl) mercaptan a canonicalized compound?

Yes, 2-(Bromobenzyl) mercaptan is a canonicalized compound.

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