methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

CAS 80629-46-5C11H16BrNO4SMW 338.22

methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS 80629-46-5) — formula C11H16BrNO4S, molecular weight 338.22; category organic chemicals.

Product Overview

CAS Number	80629-46-5
Molecular Formula	C11H16BrNO4S
Molecular Weight	338.22
LogP	1.6
Category	Organic Chemicals

Technical Profile

What this product is

methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is a carbon-based organic compound with CAS registry number 80629-46-5 and molecular formula C11H16BrNO4S (molecular weight 338.22), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 80629-46-5

Its molecular formula C11H16BrNO4S comprises 11 C, 16 H, 1 Br, 1 N, 4 O, 1 S atoms.

Also known as: methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate · [2S-[2α,5α,6α,6(S*)]]-6-溴-6-(1-羟乙基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸甲酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?

The CAS registry number of methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is 80629-46-5.

What is the molecular formula and molecular weight of methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?

Molecular formula C11H16BrNO4S, molecular weight 338.22.

What other names is methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate known by?

It is also registered under: methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, [2S-[2α,5α,6α,6(S*)]]-6-溴-6-(1-羟乙基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸甲酯.

Which category does methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS 80629-46-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号	80629-46-5
PubChem CID	21772206
分子式	C11H16BrNO4S
IUPAC 名称	methyl (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Computed descriptors

Molecular Weight	338.22
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	336.99834
Monoisotopic Mass	336.99834
Topological Polar Surface Area	92.1
Heavy Atom Count	18

Synonyms and trade names

80629-46-5; EINECS 279-518-6; DTXSID401106201

What the public record says

[2S-[2α,5α,6α,6(S*)]]-6-溴-6-(1-羟乙基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸甲酯 · CAS 80629-46-5 · C11H16BrNO4S.

Source: PubChem / Wikidata; the batch COA governs where values differ.

methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Product Overview

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

Synonyms and trade names

What the public record says

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