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29053-43-8 | Carbamodithioic acid, N-(4-methyl-1-piperazinyl)-
CAS No: 29053-43-8 Catalog No: AG002X6X MDL No:
Product Description
Catalog Number:
AG002X6X
Chemical Name:
Carbamodithioic acid, N-(4-methyl-1-piperazinyl)-
CAS Number:
29053-43-8
Molecular Formula:
C6H13N3S2
Molecular Weight:
191.3175
IUPAC Name:
[4-(methyldisulfanyl)piperazin-1-yl]carbamic acid
InChI:
InChI=1S/C6H13N3O2S2/c1-12-13-9-4-2-8(3-5-9)7-6(10)11/h7H,2-5H2,1H3,(H,10,11)
InChI Key:
IAVFNJSIGBTHEW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)NC(=S)S
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.309g/mol
Monoisotopic Mass:
223.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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