2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol

C10H12ClNOS — CID 84625965

IUPAC2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
SMILESOCCC1CSc2ccc(Cl)cc2N1
InChIInChI=1S/C10H12ClNOS/c11-7-1-2-10-9(5-7)12-8(3-4-13)6-14-10/h1-2,5,8,12-13H,3-4,6H2
InChIKeyFKUBUKKFJQUQHT-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.61
Rot. Bonds2

About 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol

2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol (PubChem CID 84625965) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
PubChem CID84625965
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
SMILESOCCC1CSc2ccc(Cl)cc2N1
InChIInChI=1S/C10H12ClNOS/c11-7-1-2-10-9(5-7)12-8(3-4-13)6-14-10/h1-2,5,8,12-13H,3-4,6H2
InChIKeyFKUBUKKFJQUQHT-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol
CID 84622170
2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84630120
2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84621176
3-(7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84634423
N-methyl-3-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628599
2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84641786
(3S)-7-chloro-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 97184640
2-(5-tert-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84634436
2-(4-chloro-2,3-dihydro-1H-indol-2-yl)ethanol
CID 117198606
2-(6-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)acetic acid
CID 84629451
6-chloro-4H-1,4-benzothiazine-3-thione
CID 11424466
3-(5,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84628954

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol?
The IUPAC name of 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol (CID 84625965) is 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol.
What is the SMILES notation for 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol?
The canonical SMILES for 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol is OCCC1CSc2ccc(Cl)cc2N1.
What is the InChIKey of 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol?
The InChIKey is FKUBUKKFJQUQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c11-7-1-2-10-9(5-7)12-8(3-4-13)6-14-10/h1-2,5,8,12-13H,3-4,6H2.
What are the key properties of 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol?
2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol has a molecular weight of 229.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol is sourced from PubChem (CID 84625965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).