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116873-13-3 | Hydrazinecarbothioamide, N-phenyl-2-[1-(2-thienyl)ethylidene]-
CAS No: 116873-13-3 Catalog No: AG000DC6 MDL No:
Product Description
Catalog Number:
AG000DC6
Chemical Name:
Hydrazinecarbothioamide, N-phenyl-2-[1-(2-thienyl)ethylidene]-
CAS Number:
116873-13-3
Molecular Formula:
C13H13N3S2
Molecular Weight:
275.3924
IUPAC Name:
1-phenyl-3-(1-thiophen-2-ylethylideneamino)thiourea
InChI:
InChI=1S/C13H13N3S2/c1-10(12-8-5-9-18-12)15-16-13(17)14-11-6-3-2-4-7-11/h2-9H,1H3,(H2,14,16,17)
InChI Key:
YRGSGWYRBFTXOU-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NN=C(c1cccs1)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.388g/mol
Monoisotopic Mass:
275.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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