2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione

C16H15NS3 — CID 53364475

IUPAC2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione
SMILESCC(C)(C)c1nc2scc(-c3ccccc3)c2c(=S)s1
InChIInChI=1S/C16H15NS3/c1-16(2,3)15-17-13-12(14(18)20-15)11(9-19-13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeySYEUGMUJTCKUHH-UHFFFAOYSA-N
MW317.50 g/mol
LogP6.05
Rot. Bonds1

About 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione

2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione (PubChem CID 53364475) has the molecular formula C16H15NS3 and a molecular weight of 317.50 g/mol. Its IUPAC name is 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione.

Molecular Properties

Compound Name2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione
PubChem CID53364475
Molecular FormulaC16H15NS3
Molecular Weight317.50 g/mol
Exact Mass317.04
IUPAC Name2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione
SMILESCC(C)(C)c1nc2scc(-c3ccccc3)c2c(=S)s1
InChIInChI=1S/C16H15NS3/c1-16(2,3)15-17-13-12(14(18)20-15)11(9-19-13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeySYEUGMUJTCKUHH-UHFFFAOYSA-N
XLogP6.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.50
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
CID 141284004
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
CID 82309519
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidine-4-thione
CID 39146845
2,3-dichloro-7-phenylthieno[2,3-b]pyrazine
CID 23122876
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
CID 144926094
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
4-iodo-5-phenylthieno[2,3-d]pyrimidine
CID 147258357
3-(2-bromoethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 82027815

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione?
The IUPAC name of 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione (CID 53364475) is 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione.
What is the SMILES notation for 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione?
The canonical SMILES for 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione is CC(C)(C)c1nc2scc(-c3ccccc3)c2c(=S)s1.
What is the InChIKey of 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione?
The InChIKey is SYEUGMUJTCKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS3/c1-16(2,3)15-17-13-12(14(18)20-15)11(9-19-13)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione?
2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione has a molecular weight of 317.50 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione is sourced from PubChem (CID 53364475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).