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88634-85-9 | Hydrazinecarbothioamide, 2-[(5-methyl-1H-imidazol-4-yl)methylene]-
CAS No: 88634-85-9 Catalog No: AG004A70 MDL No:
Product Description
Catalog Number:
AG004A70
Chemical Name:
Hydrazinecarbothioamide, 2-[(5-methyl-1H-imidazol-4-yl)methylene]-
CAS Number:
88634-85-9
Molecular Formula:
C6H9N5S
Molecular Weight:
183.2342
IUPAC Name:
[(5-methyl-1H-imidazol-4-yl)methylideneamino]thiourea
InChI:
InChI=1S/C6H9N5S/c1-4-5(9-3-8-4)2-10-11-6(7)12/h2-3H,1H3,(H,8,9)(H3,7,11,12)
InChI Key:
XLBJGGMJIVKHLO-UHFFFAOYSA-N
SMILES:
Cc1c(C=NNC(=S)N)nc[nH]1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.233g/mol
Monoisotopic Mass:
183.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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