6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione

C18H17NO2S2 — CID 2725888

IUPAC6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione
SMILESCOc1ccc(C2C=C(c3ccccc3)NC(=S)S2)cc1OC
InChIInChI=1S/C18H17NO2S2/c1-20-15-9-8-13(10-16(15)21-2)17-11-14(19-18(22)23-17)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H,19,22)
InChIKeyTVDAYNHRZNFXFK-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.41
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione

6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione (PubChem CID 2725888) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione
PubChem CID2725888
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione
SMILESCOc1ccc(C2C=C(c3ccccc3)NC(=S)S2)cc1OC
InChIInChI=1S/C18H17NO2S2/c1-20-15-9-8-13(10-16(15)21-2)17-11-14(19-18(22)23-17)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H,19,22)
InChIKeyTVDAYNHRZNFXFK-UHFFFAOYSA-N
XLogP4.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_carbam_ene(2)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione (CID 2725888) is 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione is COc1ccc(C2C=C(c3ccccc3)NC(=S)S2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione?
The InChIKey is TVDAYNHRZNFXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-20-15-9-8-13(10-16(15)21-2)17-11-14(19-18(22)23-17)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H,19,22).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione?
6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione has a molecular weight of 343.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione is sourced from PubChem (CID 2725888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).