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30536-19-7 | 2,1,3-Benzothiadiazol-4-amine, 5-chloro-
CAS No: 30536-19-7 Catalog No: AG000FXS MDL No:MFCD00465908
Product Description
Catalog Number:
AG000FXS
Chemical Name:
2,1,3-Benzothiadiazol-4-amine, 5-chloro-
CAS Number:
30536-19-7
Molecular Formula:
C6H4ClN3S
Molecular Weight:
185.6341
MDL Number:
MFCD00465908
IUPAC Name:
5-chloro-2,1,3-benzothiadiazol-4-amine
InChI:
InChI=1S/C6H4ClN3S/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2
InChI Key:
MURNIACGGUSMAP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1N)nsn2
UNII:
U6QN8431MF
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.629g/mol
Monoisotopic Mass:
184.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Isolation and characterization of a process impurity in tizanidine hydrochloride. | Indian journal of pharmaceutical sciences 20100101 |
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