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

C9H10ClNOS — CID 84622170

IUPAC(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol
SMILESOCC1CSc2ccc(Cl)cc2N1
InChIInChI=1S/C9H10ClNOS/c10-6-1-2-9-8(3-6)11-7(4-12)5-13-9/h1-3,7,11-12H,4-5H2
InChIKeyRXQJAXTXXARQQP-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.22
Rot. Bonds1

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

(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol (PubChem CID 84622170) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol
PubChem CID84622170
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC Name(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol
SMILESOCC1CSc2ccc(Cl)cc2N1
InChIInChI=1S/C9H10ClNOS/c10-6-1-2-9-8(3-6)11-7(4-12)5-13-9/h1-3,7,11-12H,4-5H2
InChIKeyRXQJAXTXXARQQP-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84625965
2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84621176
(3S)-7-chloro-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 97184640
2-(6-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)acetic acid
CID 84629451
N-methyl-3-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628599
6-chloro-4H-1,4-benzothiazine-3-thione
CID 11424466
2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84641786
2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84630120
[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol
CID 103786082
3-ethyl-7-methylsulfonyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84636683
(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)methanesulfonic acid
CID 88581736
3-(7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84634423

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol?
The IUPAC name of (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol (CID 84622170) is (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol is OCC1CSc2ccc(Cl)cc2N1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol?
The InChIKey is RXQJAXTXXARQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c10-6-1-2-9-8(3-6)11-7(4-12)5-13-9/h1-3,7,11-12H,4-5H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol?
(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol has a molecular weight of 215.70 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol is sourced from PubChem (CID 84622170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).