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88461-36-3 | Carbamothioic acid, ethylpropyl-, S-ethyl ester
CAS No: 88461-36-3 Catalog No: AG004DKD MDL No:
Product Description
Catalog Number:
AG004DKD
Chemical Name:
Carbamothioic acid, ethylpropyl-, S-ethyl ester
CAS Number:
88461-36-3
Molecular Formula:
C8H17NOS
Molecular Weight:
175.2917
IUPAC Name:
S-ethyl N-ethyl-N-propylcarbamothioate
InChI:
InChI=1S/C8H17NOS/c1-4-7-9(5-2)8(10)11-6-3/h4-7H2,1-3H3
InChI Key:
AHQNVPDJSKNWHL-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)SCC)CC
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.103g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.29g/mol
Monoisotopic Mass:
175.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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