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3-Bromo-3-methyl-2-[(2-nitrophenyl)thio]-3H-indole

3-Bromo-3-methyl-2-[(2-nitrophenyl)thio]-3H-indole structure

CAS No:
27933-36-4
Formula:
C15H11BrN2O2S
Chemical Name:
3-Bromo-3-methyl-2-[(2-nitrophenyl)thio]-3H-indole
Synonyms:
3H-Indole,3-bromo-3-methyl-2-[(2-nitrophenyl)thio]-;3H-Indole,3-bromo-3-methyl-2-[(o-nitrophenyl)thio]-;3-Bromo-3-methyl-2-[(2-nitrophenyl)thio]-3H-indole;2-(2-Nitrophenylsulfenyl)-3-methyl-3-bromoindolenine;BNPS-skatole;NSC 240875;3-Bromo-3-methyl-2-(2-nitrophenyl)sulfanylindole

Description

ChEBI: A bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group. It is use particularly for the selective cleavage of tryptophanyl peptide bonds (cleavage occurs at peptide bonds after amino acids with available Cgamma2Cdelta double bonds su h as tryptophan, tyrosine, and histidine).

BNPS-skatole is a bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group. It is used particularly for the selective cleavage of tryptophanyl peptide bonds (cleavage occurs at peptide bonds after amino acids with available C(gamma)=C(delta) double bonds such as tryptophan, tyrosine, and histidine). It has a role as a reagent. It is an aryl sulfide, a C-nitro compound and a bromoindole.

3-Bromo-3-methyl-2-[(2-nitrophenyl)thio]-3H-indole Basic Attributes

Molecular Weight：

363.23

Exact Mass：

363.23

EC Number：

248-737-9

NSC Number：

240875

HScode：

2933990090

Characteristics

PSA：

83.5

XLogP3：

4.99960

Appearance：

Yellow powder

Density：

1.57 g/cm3

Melting Point：

97-100ºC

Boiling Point：

448.8ºC at 760 mmHg

Flash Point：

225.2ºC

Refractive Index：

1.694

Storage Conditions：

−20°C

Vapor Pressure：

7.97E-08mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-(2-nitrophenylsulfenyl)-3-methyl-3-bromoindolenine

Computed Properties

Molecular Weight:363.2
XLogP3:4.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:361.97246
Monoisotopic Mass:361.97246
Topological Polar Surface Area:83.5
Heavy Atom Count:21
Complexity:453
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: fluorene; tert butanol; retratutide; lithium nitride formula; ammonia sulfate formula; polyphosphoric acid

Guide of 3-Bromo-3-methyl-2-[(2-nitrophenyl)thio]-3H-indole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

3-Bromo-3-methyl-2-[(2-nitrophenyl)thio]-3H-indole

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