2-(1,4,2-dithiazin-3-yl)phenol

C9H7NOS2 — CID 137182504

IUPAC2-(1,4,2-dithiazin-3-yl)phenol
SMILESOc1ccccc1C1=NSC=CS1
InChIInChI=1S/C9H7NOS2/c11-8-4-2-1-3-7(8)9-10-13-6-5-12-9/h1-6,11H
InChIKeyIVPKLRDTWNAELB-UHFFFAOYSA-N
MW209.30 g/mol
LogP3.01
Rot. Bonds1

About 2-(1,4,2-dithiazin-3-yl)phenol

2-(1,4,2-dithiazin-3-yl)phenol (PubChem CID 137182504) has the molecular formula C9H7NOS2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-(1,4,2-dithiazin-3-yl)phenol.

Molecular Properties

Compound Name2-(1,4,2-dithiazin-3-yl)phenol
PubChem CID137182504
Molecular FormulaC9H7NOS2
Molecular Weight209.30 g/mol
Exact Mass209.00
IUPAC Name2-(1,4,2-dithiazin-3-yl)phenol
SMILESOc1ccccc1C1=NSC=CS1
InChIInChI=1S/C9H7NOS2/c11-8-4-2-1-3-7(8)9-10-13-6-5-12-9/h1-6,11H
InChIKeyIVPKLRDTWNAELB-UHFFFAOYSA-N
XLogP3.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]phenol
CID 105460333
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol
CID 135587730
2-(1,3,4-thiadiazol-2-yl)phenol
CID 135744207
2-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136647220
2-[5-amino-5-(2-hydroxyphenyl)-1,2,4-dithiazol-3-yl]phenol
CID 135464116
(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde
CID 137181236
2-pyrimidin-2-ylphenol;zinc
CID 161346901
2-[2-[4-[2-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenol
CID 71519972
2-(6-fluoro-2-pyridinyl)phenol
CID 136595488

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,2-dithiazin-3-yl)phenol?
The IUPAC name of 2-(1,4,2-dithiazin-3-yl)phenol (CID 137182504) is 2-(1,4,2-dithiazin-3-yl)phenol.
What is the SMILES notation for 2-(1,4,2-dithiazin-3-yl)phenol?
The canonical SMILES for 2-(1,4,2-dithiazin-3-yl)phenol is Oc1ccccc1C1=NSC=CS1.
What is the InChIKey of 2-(1,4,2-dithiazin-3-yl)phenol?
The InChIKey is IVPKLRDTWNAELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS2/c11-8-4-2-1-3-7(8)9-10-13-6-5-12-9/h1-6,11H.
What are the key properties of 2-(1,4,2-dithiazin-3-yl)phenol?
2-(1,4,2-dithiazin-3-yl)phenol has a molecular weight of 209.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,2-dithiazin-3-yl)phenol is sourced from PubChem (CID 137182504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).