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288841-34-9 | Thiocyanic acid, 2-amino-7-methyl-6-benzothiazolyl ester
CAS No: 288841-34-9 Catalog No: AG002WXK MDL No:
Product Description
Catalog Number:
AG002WXK
Chemical Name:
Thiocyanic acid, 2-amino-7-methyl-6-benzothiazolyl ester
CAS Number:
288841-34-9
Molecular Formula:
C9H7N3S2
Molecular Weight:
221.3020
IUPAC Name:
(2-amino-7-methyl-1,3-benzothiazol-6-yl) thiocyanate
InChI:
InChI=1S/C9H7N3S2/c1-5-7(13-4-10)3-2-6-8(5)14-9(11)12-6/h2-3H,1H3,(H2,11,12)
InChI Key:
ICKXPSFYMDYEPJ-UHFFFAOYSA-N
SMILES:
N#CSc1ccc2c(c1C)sc(n2)N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.296g/mol
Monoisotopic Mass:
221.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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