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13679-61-3 | 2-Furancarbothioic acid, S-methyl ester
CAS No: 13679-61-3 Catalog No: AG0012DO MDL No:MFCD00040266
Product Description
Catalog Number:
AG0012DO
Chemical Name:
2-Furancarbothioic acid, S-methyl ester
CAS Number:
13679-61-3
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
MDL Number:
MFCD00040266
IUPAC Name:
S-methyl furan-2-carbothioate
InChI:
InChI=1S/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3
InChI Key:
ISKUAGFDTRLBHG-UHFFFAOYSA-N
SMILES:
CSC(=O)c1ccco1
EC Number:
237-177-0
UNII:
9H9BCF87R7
FEMA Number:
3311
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.172g/mol
Monoisotopic Mass:
142.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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