6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol

C6H6ClNO2S2 — CID 170389649

IUPAC6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO=S1NCC(O)c2cc(Cl)sc21
InChIInChI=1S/C6H6ClNO2S2/c7-5-1-3-4(9)2-8-12(10)6(3)11-5/h1,4,8-9H,2H2
InChIKeyDWAPPSYXHUGREX-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.06
Rot. Bonds

About 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol

6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (PubChem CID 170389649) has the molecular formula C6H6ClNO2S2 and a molecular weight of 223.71 g/mol. Its IUPAC name is 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
PubChem CID170389649
Molecular FormulaC6H6ClNO2S2
Molecular Weight223.71 g/mol
Exact Mass222.95
IUPAC Name6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO=S1NCC(O)c2cc(Cl)sc21
InChIInChI=1S/C6H6ClNO2S2/c7-5-1-3-4(9)2-8-12(10)6(3)11-5/h1,4,8-9H,2H2
InChIKeyDWAPPSYXHUGREX-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The IUPAC name of 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (CID 170389649) is 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is O=S1NCC(O)c2cc(Cl)sc21.
What is the InChIKey of 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The InChIKey is DWAPPSYXHUGREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S2/c7-5-1-3-4(9)2-8-12(10)6(3)11-5/h1,4,8-9H,2H2.
What are the key properties of 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol has a molecular weight of 223.71 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 170389649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).