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20812-04-8 | Hydrazinecarbothioamide, 2-butylidene-
CAS No: 20812-04-8 Catalog No: AG002JIN MDL No:
Product Description
Catalog Number:
AG002JIN
Chemical Name:
Hydrazinecarbothioamide, 2-butylidene-
CAS Number:
20812-04-8
Molecular Formula:
C5H11N3S
Molecular Weight:
145.2259
IUPAC Name:
(butylideneamino)thiourea
InChI:
InChI=1S/C5H11N3S/c1-2-3-4-7-8-5(6)9/h4H,2-3H2,1H3,(H3,6,8,9)
InChI Key:
PHSFCDXVZZLETR-UHFFFAOYSA-N
SMILES:
CCCC=NNC(=S)N
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.067g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.224g/mol
Monoisotopic Mass:
145.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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