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92819-62-0 | (3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-CYANAMIDE
CAS No: 92819-62-0 Catalog No: AG006058 MDL No:
Product Description
Catalog Number:
AG006058
Chemical Name:
(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-CYANAMIDE
CAS Number:
92819-62-0
Molecular Formula:
C9H7N3S
Molecular Weight:
189.2370
IUPAC Name:
(3-methyl-1,3-benzothiazol-2-ylidene)cyanamide
InChI:
InChI=1S/C9H7N3S/c1-12-7-4-2-3-5-8(7)13-9(12)11-6-10/h2-5H,1H3
InChI Key:
NUTOSDSDBXXHIU-UHFFFAOYSA-N
SMILES:
N#CN=c1sc2c(n1C)cccc2
Properties
Complexity:
278
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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