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90964-37-7 | Carbamodithioic acid, [3-(2-furanyl)-1-oxo-2-propenyl]-, methyl ester
CAS No: 90964-37-7 Catalog No: AG006G9W MDL No:
Product Description
Catalog Number:
AG006G9W
Chemical Name:
Carbamodithioic acid, [3-(2-furanyl)-1-oxo-2-propenyl]-, methyl ester
CAS Number:
90964-37-7
Molecular Formula:
C9H9NO2S2
Molecular Weight:
227.3033
IUPAC Name:
methyl N-[3-(furan-2-yl)prop-2-enoyl]carbamodithioate
InChI:
InChI=1S/C9H9NO2S2/c1-14-9(13)10-8(11)5-4-7-3-2-6-12-7/h2-6H,1H3,(H,10,11,13)
InChI Key:
AAXIPVCYWXFUSF-UHFFFAOYSA-N
SMILES:
CSC(=S)NC(=O)C=Cc1ccco1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.296g/mol
Monoisotopic Mass:
227.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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