CAS
93778-13-3 Purity
96%
93778-13-3 Purity
96%
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5-Mesyl-2-[(2-nitrophenyl)thio]aniline
CAS
93778-19-9
Catalog Number
ACM93778199
Category
Other Products
Molecular Weight
324.375380 [g/mol]
Molecular Formula
C13H12N2O4S2
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Specification
Synonyms
EINECS 298-153-3, CID3022327, 5-Mesyl-2-((2-nitrophenyl)thio)aniline, 93778-19-9
IUPAC Name
5-methylsulfonyl-2-(2-nitrophenyl)sulfanylaniline
Canonical SMILES
CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])N
InChI Key
QVTHYCXLXGKSTI-UHFFFAOYSA-N
Boiling Point
535.1ºC at 760mmHg
Flash Point
277.4ºC
Density
1.51g/cm³
EC Number
298-153-3
Exact Mass
324.02400
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?
The molecular formula is C13H12N2O4S2.
When was the chemical first created and when was it last modified?
The chemical was created on August 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?
The IUPAC name is 5-methylsulfonyl-2-(2-nitrophenyl)sulfanylaniline.
What is the InChI of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?
The InChI is InChI=1S/C13H12N2O4S2/c1-21(18,19)9-6-7-12(10(14)8-9)20-13-5-3-2-4-11(13)15(16)17/h2-8H,14H2,1H3.
What is the molecular weight of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?
The molecular weight is 324.4 g/mol.
What is the Canonical SMILES of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?
The Canonical SMILES is CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])N.
What is the CAS number of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?
The CAS number is 93778-19-9.
How many hydrogen bond donor counts are there in 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?
There is 1 hydrogen bond donor count.
What is the hydrogen bond acceptor count in 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?
There are 6 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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93778-24-6 Purity
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93778-24-6 Purity
96%
