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86433-28-5 | Carbamothioic acid, diethyl-, S-(5-chloropentyl) ester
CAS No: 86433-28-5 Catalog No: AG004N3K MDL No:
Product Description
Catalog Number:
AG004N3K
Chemical Name:
Carbamothioic acid, diethyl-, S-(5-chloropentyl) ester
CAS Number:
86433-28-5
Molecular Formula:
C10H20ClNOS
Molecular Weight:
237.7899
IUPAC Name:
S-(5-chloropentyl) N,N-diethylcarbamothioate
InChI:
InChI=1S/C10H20ClNOS/c1-3-12(4-2)10(13)14-9-7-5-6-8-11/h3-9H2,1-2H3
InChI Key:
PCAXLUWCSBXGKT-UHFFFAOYSA-N
SMILES:
ClCCCCCSC(=O)N(CC)CC
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.786g/mol
Monoisotopic Mass:
237.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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