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876191-56-9 | Carbamic acid, (3-methyl-4-isothiazolyl)-, 1,1-dimethylethyl ester
CAS No: 876191-56-9 Catalog No: AG00IEPA MDL No:MFCD11499025
Product Description
Catalog Number:
AG00IEPA
Chemical Name:
Carbamic acid, (3-methyl-4-isothiazolyl)-, 1,1-dimethylethyl ester
CAS Number:
876191-56-9
Molecular Formula:
C9H14N2O2S
Molecular Weight:
214.2847
MDL Number:
MFCD11499025
IUPAC Name:
tert-butyl N-(3-methyl-1,2-thiazol-4-yl)carbamate
InChI:
InChI=1S/C9H14N2O2S/c1-6-7(5-14-11-6)10-8(12)13-9(2,3)4/h5H,1-4H3,(H,10,12)
InChI Key:
KIQMUEBPBWDMKO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1csnc1C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.283g/mol
Monoisotopic Mass:
214.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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