2-(2,3-dichlorophenyl)-1,3-thiazinane

C10H11Cl2NS — CID 66220231

IUPAC2-(2,3-dichlorophenyl)-1,3-thiazinane
SMILESClc1cccc(C2NCCCS2)c1Cl
InChIInChI=1S/C10H11Cl2NS/c11-8-4-1-3-7(9(8)12)10-13-5-2-6-14-10/h1,3-4,10,13H,2,5-6H2
InChIKeyMVKMYICQHZJUAA-UHFFFAOYSA-N
MW248.18 g/mol
LogP3.72
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-1,3-thiazinane

2-(2,3-dichlorophenyl)-1,3-thiazinane (PubChem CID 66220231) has the molecular formula C10H11Cl2NS and a molecular weight of 248.18 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1,3-thiazinane
PubChem CID66220231
Molecular FormulaC10H11Cl2NS
Molecular Weight248.18 g/mol
Exact Mass247.00
IUPAC Name2-(2,3-dichlorophenyl)-1,3-thiazinane
SMILESClc1cccc(C2NCCCS2)c1Cl
InChIInChI=1S/C10H11Cl2NS/c11-8-4-1-3-7(9(8)12)10-13-5-2-6-14-10/h1,3-4,10,13H,2,5-6H2
InChIKeyMVKMYICQHZJUAA-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dichlorophenyl)-1,3-thiazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-1,3-thiazinane
CID 66219247
2-(4-chloro-3-fluorophenyl)-1,3-thiazinane
CID 66219496
2-chloro-4-(1,3-thiazinan-2-yl)phenol
CID 66218518
3-(2-chlorophenyl)-1,4-thiazepane
CID 66217043
2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane
CID 66217529
2-naphthalen-2-yl-1,3-thiazinane
CID 66218515
2-(3-phenoxyphenyl)-1,3-thiazinane
CID 66219243
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361
(2,3-dichlorophenyl)cycloheptane
CID 166869288
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2-(2,3-dichlorophenyl)-3-methylpyrrolidine
CID 3523837
3-(2,3-dichlorophenyl)piperidine
CID 24904244

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1,3-thiazinane?
The IUPAC name of 2-(2,3-dichlorophenyl)-1,3-thiazinane (CID 66220231) is 2-(2,3-dichlorophenyl)-1,3-thiazinane.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1,3-thiazinane?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1,3-thiazinane is Clc1cccc(C2NCCCS2)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1,3-thiazinane?
The InChIKey is MVKMYICQHZJUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NS/c11-8-4-1-3-7(9(8)12)10-13-5-2-6-14-10/h1,3-4,10,13H,2,5-6H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1,3-thiazinane?
2-(2,3-dichlorophenyl)-1,3-thiazinane has a molecular weight of 248.18 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1,3-thiazinane is sourced from PubChem (CID 66220231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).