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89661-30-3 | Carbamic acid, dimethyl-, 5-[(butylthio)methyl]-3-isoxazolyl ester
CAS No: 89661-30-3 Catalog No: AG0044VT MDL No:
Product Description
Catalog Number:
AG0044VT
Chemical Name:
Carbamic acid, dimethyl-, 5-[(butylthio)methyl]-3-isoxazolyl ester
CAS Number:
89661-30-3
Molecular Formula:
C11H18N2O3S
Molecular Weight:
258.3372
IUPAC Name:
[5-(butylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C11H18N2O3S/c1-4-5-6-17-8-9-7-10(12-16-9)15-11(14)13(2)3/h7H,4-6,8H2,1-3H3
InChI Key:
QIMZQGNLRSXEMX-UHFFFAOYSA-N
SMILES:
CCCCSCc1onc(c1)OC(=O)N(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.336g/mol
Monoisotopic Mass:
258.104g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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