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2801-21-0 | 2-Benzothiazolesulfenamide(6CI,7CI,8CI,9CI)
CAS No: 2801-21-0 Catalog No: AG00BLLL MDL No:MFCD00267709
Product Description
Catalog Number:
AG00BLLL
Chemical Name:
2-Benzothiazolesulfenamide(6CI,7CI,8CI,9CI)
CAS Number:
2801-21-0
Molecular Formula:
C7H6N2S2
Molecular Weight:
182.2659
MDL Number:
MFCD00267709
IUPAC Name:
S-(1,3-benzothiazol-2-yl)thiohydroxylamine
InChI:
InChI=1S/C7H6N2S2/c8-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,8H2
InChI Key:
GPNLWUFFWOYKLP-UHFFFAOYSA-N
SMILES:
NSc1nc2c(s1)cccc2
NSC Number:
157088
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.997g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.259g/mol
Monoisotopic Mass:
181.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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