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1251734-12-9 | Carbamic acid, N-(5-methyl-3-thienyl)-, 1,1-dimethylethyl ester
CAS No: 1251734-12-9 Catalog No: AG000NAJ MDL No:MFCD22392275
Product Description
Catalog Number:
AG000NAJ
Chemical Name:
Carbamic acid, N-(5-methyl-3-thienyl)-, 1,1-dimethylethyl ester
CAS Number:
1251734-12-9
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD22392275
IUPAC Name:
tert-butyl N-(5-methylthiophen-3-yl)carbamate
InChI:
InChI=1S/C10H15NO2S/c1-7-5-8(6-14-7)11-9(12)13-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChI Key:
VIPISFZPXVBJCK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1csc(c1)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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