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179061-06-4 | Carbamic acid, N-[2-(3-thienyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 179061-06-4 Catalog No: AG0026RI MDL No:
Product Description
Catalog Number:
AG0026RI
Chemical Name:
Carbamic acid, N-[2-(3-thienyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
179061-06-4
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
IUPAC Name:
tert-butyl N-(2-thiophen-3-ylethyl)carbamate
InChI:
InChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)12-6-4-9-5-7-15-8-9/h5,7-8H,4,6H2,1-3H3,(H,12,13)
InChI Key:
XYCUWSXIQZTIDD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1cscc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.322g/mol
Monoisotopic Mass:
227.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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