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92987-73-0 | CYANAMIDE, (6-METHYL-2-BENZOTHIAZOLYL)-
CAS No: 92987-73-0 Catalog No: AG0066X1 MDL No:
Product Description
Catalog Number:
AG0066X1
Chemical Name:
CYANAMIDE, (6-METHYL-2-BENZOTHIAZOLYL)-
CAS Number:
92987-73-0
Molecular Formula:
C9H7N3S
Molecular Weight:
189.2370
IUPAC Name:
(6-methyl-1,3-benzothiazol-2-yl)cyanamide
InChI:
InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)13-9(12-7)11-5-10/h2-4H,1H3,(H,11,12)
InChI Key:
TXWAFQDIPWCYOK-UHFFFAOYSA-N
SMILES:
N#CNc1nc2c(s1)cc(cc2)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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