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89661-32-5 | Carbamic acid, dimethyl-, 5-[(pentylthio)methyl]-3-isoxazolyl ester
CAS No: 89661-32-5 Catalog No: AG0043U5 MDL No:
Product Description
Catalog Number:
AG0043U5
Chemical Name:
Carbamic acid, dimethyl-, 5-[(pentylthio)methyl]-3-isoxazolyl ester
CAS Number:
89661-32-5
Molecular Formula:
C12H20N2O3S
Molecular Weight:
272.3638
IUPAC Name:
[5-(pentylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C12H20N2O3S/c1-4-5-6-7-18-9-10-8-11(13-17-10)16-12(15)14(2)3/h8H,4-7,9H2,1-3H3
InChI Key:
DWQZPIAGVOTGLX-UHFFFAOYSA-N
SMILES:
CCCCCSCc1onc(c1)OC(=O)N(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.363g/mol
Monoisotopic Mass:
272.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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