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100738-07-6 | Carbamodithioic acid, decyl-, compd. with 1-decanamine (1:1) (9CI)
CAS No: 100738-07-6 Catalog No: AG0002R4 MDL No:
Product Description
Catalog Number:
AG0002R4
Chemical Name:
Carbamodithioic acid, decyl-, compd. with 1-decanamine (1:1) (9CI)
CAS Number:
100738-07-6
Molecular Formula:
C21H46N2S2
Molecular Weight:
390.7333
IUPAC Name:
decan-1-amine;decylcarbamodithioic acid
InChI:
InChI=1S/C11H23NS2.C10H23N/c1-2-3-4-5-6-7-8-9-10-12-11(13)14;1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3,(H2,12,13,14);2-11H2,1H3
InChI Key:
KRQARHXNUDORQK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCN.CCCCCCCCCCNC(=S)S
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.31g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
390.733g/mol
Monoisotopic Mass:
390.31g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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