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130288-32-3 | Carbamic acid, N-(tetrahydro-2-oxo-3-thienyl)-, 1,1-dimethylethyl ester
CAS No: 130288-32-3 Catalog No: AG000U7Y MDL No:MFCD24465916
Product Description
Catalog Number:
AG000U7Y
Chemical Name:
Carbamic acid, N-(tetrahydro-2-oxo-3-thienyl)-, 1,1-dimethylethyl ester
CAS Number:
130288-32-3
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.2853
MDL Number:
MFCD24465916
IUPAC Name:
tert-butyl N-(2-oxothiolan-3-yl)carbamate
InChI:
InChI=1S/C9H15NO3S/c1-9(2,3)13-8(12)10-6-4-5-14-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)
InChI Key:
IXUYHRLEDLSFSX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCSC1=O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.283g/mol
Monoisotopic Mass:
217.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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