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69792-51-4 | 2-Thiazolecarbothioamide, N,N-dimethyl-4-phenyl-
CAS No: 69792-51-4 Catalog No: AG005HZT MDL No:
Product Description
Catalog Number:
AG005HZT
Chemical Name:
2-Thiazolecarbothioamide, N,N-dimethyl-4-phenyl-
CAS Number:
69792-51-4
Molecular Formula:
C12H12N2S2
Molecular Weight:
248.3671
IUPAC Name:
N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide
InChI:
InChI=1S/C12H12N2S2/c1-14(2)12(15)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
AKMBYCCUFBBLGZ-UHFFFAOYSA-N
SMILES:
CN(C(=S)c1scc(n1)c1ccccc1)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.362g/mol
Monoisotopic Mass:
248.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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