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88258-67-7 | Carbamic acid, (5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-, ethyl ester
CAS No: 88258-67-7 Catalog No: AG004ABQ MDL No:
Product Description
Catalog Number:
AG004ABQ
Chemical Name:
Carbamic acid, (5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-, ethyl ester
CAS Number:
88258-67-7
Molecular Formula:
C8H13NO3S
Molecular Weight:
203.2587
IUPAC Name:
ethyl N-(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbamate
InChI:
InChI=1S/C8H13NO3S/c1-3-11-8(10)9-7-6(2)12-4-5-13-7/h3-5H2,1-2H3,(H,9,10)
InChI Key:
OKWBFNOYGFVBOF-UHFFFAOYSA-N
SMILES:
CC1=C(NC(=O)OCC)SCCO1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.256g/mol
Monoisotopic Mass:
203.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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