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77505-56-7 | 1-Imidazolidinecarbothioamide, 3-(hydroxymethyl)-N-phenyl-2-thioxo-
CAS No: 77505-56-7 Catalog No: AG005H9D MDL No:
Product Description
Catalog Number:
AG005H9D
Chemical Name:
1-Imidazolidinecarbothioamide, 3-(hydroxymethyl)-N-phenyl-2-thioxo-
CAS Number:
77505-56-7
Molecular Formula:
C11H13N3OS2
Molecular Weight:
267.3704
IUPAC Name:
3-(hydroxymethyl)-N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide
InChI:
InChI=1S/C11H13N3OS2/c15-8-13-6-7-14(11(13)17)10(16)12-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,12,16)
InChI Key:
FXTYXSAWLBJEMM-UHFFFAOYSA-N
SMILES:
OCN1CCN(C1=S)C(=S)Nc1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.365g/mol
Monoisotopic Mass:
267.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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