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

C6H6ClNOS2 — CID 19370789

IUPAC6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESOC1CNSc2sc(Cl)cc21
InChIInChI=1S/C6H6ClNOS2/c7-5-1-3-4(9)2-8-11-6(3)10-5/h1,4,8-9H,2H2
InChIKeyKDCZMDDHMYFRGB-UHFFFAOYSA-N
MW207.71 g/mol
LogP2.05
Rot. Bonds

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

6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (PubChem CID 19370789) has the molecular formula C6H6ClNOS2 and a molecular weight of 207.71 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
PubChem CID19370789
Molecular FormulaC6H6ClNOS2
Molecular Weight207.71 g/mol
Exact Mass206.96
IUPAC Name6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESOC1CNSc2sc(Cl)cc21
InChIInChI=1S/C6H6ClNOS2/c7-5-1-3-4(9)2-8-11-6(3)10-5/h1,4,8-9H,2H2
InChIKeyKDCZMDDHMYFRGB-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.71
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno(3,2-e)thiazin-4-ol
CID 11746721
6-Chloro-4-hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 11010059
3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
CID 17875050
6-Chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 19370783
(4S)-6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 49821569
2-(2-Bromoethyl)-6-chloro-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 53728314
(4S)-6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
CID 53988375
(4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
CID 70114516
2-(4-Bromobutyl)-6-chloro-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 91276210
6-iodo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol;methanethiol
CID 141830436
(4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 143676815
6-chloro-1-oxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
CID 170389649

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The IUPAC name of 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (CID 19370789) is 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is OC1CNSc2sc(Cl)cc21.
What is the InChIKey of 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The InChIKey is KDCZMDDHMYFRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS2/c7-5-1-3-4(9)2-8-11-6(3)10-5/h1,4,8-9H,2H2.
What are the key properties of 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol has a molecular weight of 207.71 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 19370789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).