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92081-75-9 | 2-BENZO[D]THIAZOLECARBODITHIOIC ACID METHYL ESTER
CAS No: 92081-75-9 Catalog No: AG006K4A MDL No:
Product Description
Catalog Number:
AG006K4A
Chemical Name:
2-BENZO[D]THIAZOLECARBODITHIOIC ACID METHYL ESTER
CAS Number:
92081-75-9
Molecular Formula:
C9H7NS3
Molecular Weight:
225.3536
IUPAC Name:
methyl 1,3-benzothiazole-2-carbodithioate
InChI:
InChI=1S/C9H7NS3/c1-12-9(11)8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3
InChI Key:
UNBYRTHQFZMUPH-UHFFFAOYSA-N
SMILES:
CSC(=S)c1nc2c(s1)cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.342g/mol
Monoisotopic Mass:
224.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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