2-chloro-4-(1,3-thiazinan-2-yl)phenol

C10H12ClNOS — CID 66218518

IUPAC2-chloro-4-(1,3-thiazinan-2-yl)phenol
SMILESOc1ccc(C2NCCCS2)cc1Cl
InChIInChI=1S/C10H12ClNOS/c11-8-6-7(2-3-9(8)13)10-12-4-1-5-14-10/h2-3,6,10,12-13H,1,4-5H2
InChIKeyOOUARBPXSVXGIV-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.77
Rot. Bonds1

About 2-chloro-4-(1,3-thiazinan-2-yl)phenol

2-chloro-4-(1,3-thiazinan-2-yl)phenol (PubChem CID 66218518) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-chloro-4-(1,3-thiazinan-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-(1,3-thiazinan-2-yl)phenol
PubChem CID66218518
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name2-chloro-4-(1,3-thiazinan-2-yl)phenol
SMILESOc1ccc(C2NCCCS2)cc1Cl
InChIInChI=1S/C10H12ClNOS/c11-8-6-7(2-3-9(8)13)10-12-4-1-5-14-10/h2-3,6,10,12-13H,1,4-5H2
InChIKeyOOUARBPXSVXGIV-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,3-thiazinan-2-yl)phenol?
The IUPAC name of 2-chloro-4-(1,3-thiazinan-2-yl)phenol (CID 66218518) is 2-chloro-4-(1,3-thiazinan-2-yl)phenol.
What is the SMILES notation for 2-chloro-4-(1,3-thiazinan-2-yl)phenol?
The canonical SMILES for 2-chloro-4-(1,3-thiazinan-2-yl)phenol is Oc1ccc(C2NCCCS2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,3-thiazinan-2-yl)phenol?
The InChIKey is OOUARBPXSVXGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c11-8-6-7(2-3-9(8)13)10-12-4-1-5-14-10/h2-3,6,10,12-13H,1,4-5H2.
What are the key properties of 2-chloro-4-(1,3-thiazinan-2-yl)phenol?
2-chloro-4-(1,3-thiazinan-2-yl)phenol has a molecular weight of 229.73 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,3-thiazinan-2-yl)phenol is sourced from PubChem (CID 66218518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).