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19901-06-5 | Hydrazinecarbothioamide, 2,2'-(1,2-cyclohexanediylidene)bis- (9CI)
CAS No: 19901-06-5 Catalog No: AG002BVB MDL No:
Product Description
Catalog Number:
AG002BVB
Chemical Name:
Hydrazinecarbothioamide, 2,2'-(1,2-cyclohexanediylidene)bis- (9CI)
CAS Number:
19901-06-5
Molecular Formula:
C8H14N6S2
Molecular Weight:
258.3670
IUPAC Name:
[(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea
InChI:
InChI=1S/C8H14N6S2/c9-7(15)13-11-5-3-1-2-4-6(5)12-14-8(10)16/h1-4H2,(H3,9,13,15)(H3,10,14,16)/b11-5-,12-6+
InChI Key:
KUFDKDMUQRYPCC-JTAXDKCCSA-N
SMILES:
NC(=S)NN=C1CCCCC1=NNC(=S)N
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
258.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
258.362g/mol
Monoisotopic Mass:
258.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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