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189688-00-4 | Carbamothioic acid, (1-oxopropyl)propyl-, S-ethyl ester (9CI)
CAS No: 189688-00-4 Catalog No: AG002DVF MDL No:
Product Description
Catalog Number:
AG002DVF
Chemical Name:
Carbamothioic acid, (1-oxopropyl)propyl-, S-ethyl ester (9CI)
CAS Number:
189688-00-4
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
IUPAC Name:
S-ethyl N-propanoyl-N-propylcarbamothioate
InChI:
InChI=1S/C9H17NO2S/c1-4-7-10(8(11)5-2)9(12)13-6-3/h4-7H2,1-3H3
InChI Key:
BUXCRJNNHWGAQV-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)SCC)C(=O)CC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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