Compound C8H12N2O3S

(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 551-16-6

Molecular Formula	`C8H12N2O3S`
Molecular Weight	216.26 g/mol
LogP	-2.1
Topological Polar Surface Area	109.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	216.05687
Heavy Atoms	14
Complexity	318.0

Chemical Identifiers

CAS Number	551-16-6
SMILES	`CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C`
InChIKey	`NGHVIOIJCVXTGV-ALEPSDHESA-N`

📖 Product Overview

Compound C8H12N2O3S (CAS: 551-16-6) is a chemical compound with molecular formula C8H12N2O3S and molecular weight 216.26 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP -2.1 Topological Polar Surface Area 109.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 216.05687 Heavy Atoms 14 Complexity 318.0 InChI Key: NGHVIOIJCVXTGV-ALEPSDHESA-N. SMILES: CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C.

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