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29053-32-5 | 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-(1-methylethyl)-
CAS No: 29053-32-5 Catalog No: AG002X6Y MDL No:
Product Description
Catalog Number:
AG002X6Y
Chemical Name:
1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-(1-methylethyl)-
CAS Number:
29053-32-5
Molecular Formula:
C9H18N2S2
Molecular Weight:
218.3826
IUPAC Name:
4-propan-2-yl-1,4-diazepane-1-carbodithioic acid
InChI:
InChI=1S/C9H18N2S2/c1-8(2)10-4-3-5-11(7-6-10)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChI Key:
WWBSVJOZUHDUAG-UHFFFAOYSA-N
SMILES:
CC(N1CCCN(CC1)C(=S)S)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.377g/mol
Monoisotopic Mass:
218.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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