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102266-85-3 | Carbonothioic dihydrazide, bis(1-methylpropylidene)- (9CI)
CAS No: 102266-85-3 Catalog No: AG000723 MDL No:
Product Description
Catalog Number:
AG000723
Chemical Name:
Carbonothioic dihydrazide, bis(1-methylpropylidene)- (9CI)
CAS Number:
102266-85-3
Molecular Formula:
C9H18N4S
Molecular Weight:
214.3310
IUPAC Name:
1,3-bis(butan-2-ylideneamino)thiourea
InChI:
InChI=1S/C9H18N4S/c1-5-7(3)10-12-9(14)13-11-8(4)6-2/h5-6H2,1-4H3,(H2,12,13,14)
InChI Key:
XAXLFEQKPFOEMW-UHFFFAOYSA-N
SMILES:
CCC(=NNC(=S)NN=C(CC)C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.125g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.331g/mol
Monoisotopic Mass:
214.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.3
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