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130155-32-7 | Hydrazinecarbothioamide, 2-[2,3-bis(hydroxyimino)cyclohexylidene]-
CAS No: 130155-32-7 Catalog No: AG000U2O MDL No:
Product Description
Catalog Number:
AG000U2O
Chemical Name:
Hydrazinecarbothioamide, 2-[2,3-bis(hydroxyimino)cyclohexylidene]-
CAS Number:
130155-32-7
Molecular Formula:
C7H11N5O2S
Molecular Weight:
229.2595
IUPAC Name:
[[2,3-bis(hydroxyimino)cyclohexylidene]amino]thiourea
InChI:
InChI=1S/C7H11N5O2S/c8-7(15)10-9-4-2-1-3-5(11-13)6(4)12-14/h13-14H,1-3H2,(H3,8,10,15)
InChI Key:
AWXJHAPFVPMLFA-UHFFFAOYSA-N
SMILES:
NC(=S)NN=C1CCCC(=NO)C1=NO
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
229.258g/mol
Monoisotopic Mass:
229.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
-0.2
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