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15449-86-2 | Hydrazinecarbothioamide, 2-[1-(1H-benzimidazol-2-yl)ethylidene]-
CAS No: 15449-86-2 Catalog No: AG007XHT MDL No:
Product Description
Catalog Number:
AG007XHT
Chemical Name:
Hydrazinecarbothioamide, 2-[1-(1H-benzimidazol-2-yl)ethylidene]-
CAS Number:
15449-86-2
Molecular Formula:
C10H11N5S
Molecular Weight:
233.2928
IUPAC Name:
[1-(1H-benzimidazol-2-yl)ethylideneamino]thiourea
InChI:
InChI=1S/C10H11N5S/c1-6(14-15-10(11)16)9-12-7-4-2-3-5-8(7)13-9/h2-5H,1H3,(H,12,13)(H3,11,15,16)
InChI Key:
NGYZMZZVPBPQMC-UHFFFAOYSA-N
SMILES:
NC(=S)NN=C(c1nc2c([nH]1)cccc2)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.293g/mol
Monoisotopic Mass:
233.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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