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78772-50-6 | Hydrazinecarbothioamide,2-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethyl-
CAS No: 78772-50-6 Catalog No: AG0055CZ MDL No:
Product Description
Catalog Number:
AG0055CZ
Chemical Name:
Hydrazinecarbothioamide,2-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethyl-
CAS Number:
78772-50-6
Molecular Formula:
C12H17N5S
Molecular Weight:
263.3619
IUPAC Name:
1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-ethylthiourea
InChI:
InChI=1S/C12H17N5S/c1-2-13-12(18)17-14-8-7-11-15-9-5-3-4-6-10(9)16-11/h3-6,14H,2,7-8H2,1H3,(H,15,16)(H2,13,17,18)
InChI Key:
JBIRHWVDDDDBCJ-UHFFFAOYSA-N
SMILES:
CCNC(=S)NNCCc1nc2c([nH]1)cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
263.363g/mol
Monoisotopic Mass:
263.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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