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515130-18-4 | BUTANEDIOIC ACID, (3,6-DIHYDRO-1,1-DIOXIDO-2H-1,2-THIAZIN-2-YL)-, DIMETHYL ESTER, (2S)
CAS No: 515130-18-4 Catalog No: AG00DEFC MDL No:MFCD08460308
Product Description
Catalog Number:
AG00DEFC
Chemical Name:
BUTANEDIOIC ACID, (3,6-DIHYDRO-1,1-DIOXIDO-2H-1,2-THIAZIN-2-YL)-, DIMETHYL ESTER, (2S)
CAS Number:
515130-18-4
Molecular Formula:
C10H15NO6S
Molecular Weight:
277.2942
MDL Number:
MFCD08460308
IUPAC Name:
dimethyl (2S)-2-(1,1-dioxo-3,6-dihydrothiazin-2-yl)butanedioate
InChI:
InChI=1S/C10H15NO6S/c1-16-9(12)7-8(10(13)17-2)11-5-3-4-6-18(11,14)15/h3-4,8H,5-7H2,1-2H3/t8-/m0/s1
InChI Key:
NAEWSUMRAXRZQU-QMMMGPOBSA-N
SMILES:
COC(=O)[C@@H](N1CC=CCS1(=O)=O)CC(=O)OC
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.291g/mol
Monoisotopic Mass:
277.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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