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306936-08-3 | 5-Benzofurancarbothioamide, 2,3-dihydro-
CAS No: 306936-08-3 Catalog No: AG0030X4 MDL No:MFCD00728868
Product Description
Catalog Number:
AG0030X4
Chemical Name:
5-Benzofurancarbothioamide, 2,3-dihydro-
CAS Number:
306936-08-3
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD00728868
IUPAC Name:
2,3-dihydro-1-benzofuran-5-carbothioamide
InChI:
InChI=1S/C9H9NOS/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-2,5H,3-4H2,(H2,10,12)
InChI Key:
SOAROQIQNPHLJX-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc2c(c1)CCO2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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