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796975-33-2 | Carbamodithioic acid, butylphenyl-, compd. with piperidine (1:1)
CAS No: 796975-33-2 Catalog No: AG0056DA MDL No:
Product Description
Catalog Number:
AG0056DA
Chemical Name:
Carbamodithioic acid, butylphenyl-, compd. with piperidine (1:1)
CAS Number:
796975-33-2
Molecular Formula:
C16H26N2S2
Molecular Weight:
310.5210
IUPAC Name:
butyl(phenyl)carbamodithioic acid;piperidine
InChI:
InChI=1S/C11H15NS2.C5H11N/c1-2-3-9-12(11(13)14)10-7-5-4-6-8-10;1-2-4-6-5-3-1/h4-8H,2-3,9H2,1H3,(H,13,14);6H,1-5H2
InChI Key:
RJYKLMMOGHUKHL-UHFFFAOYSA-N
SMILES:
C1CCCNC1.CCCCN(c1ccccc1)C(=S)S
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.518g/mol
Monoisotopic Mass:
310.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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