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90298-66-1 | 2-Benzoxazolecarbodithioic acid, methyl ester
CAS No: 90298-66-1 Catalog No: AG006SUJ MDL No:
Product Description
Catalog Number:
AG006SUJ
Chemical Name:
2-Benzoxazolecarbodithioic acid, methyl ester
CAS Number:
90298-66-1
Molecular Formula:
C9H7NOS2
Molecular Weight:
209.2880
IUPAC Name:
methyl 1,3-benzoxazole-2-carbodithioate
InChI:
InChI=1S/C9H7NOS2/c1-13-9(12)8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChI Key:
PWXDWAFTUVLREL-UHFFFAOYSA-N
SMILES:
CSC(=S)c1nc2c(o1)cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.281g/mol
Monoisotopic Mass:
208.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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