4-phenyl-3,4-dihydroisothiochromene-1-thione

C15H12S2 — CID 101474013

IUPAC4-phenyl-3,4-dihydroisothiochromene-1-thione
SMILESS=C1SCC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H12S2/c16-15-13-9-5-4-8-12(13)14(10-17-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyDDULEJNMBFPTNZ-UHFFFAOYSA-N
MW256.40 g/mol
LogP4.24
Rot. Bonds1

About 4-phenyl-3,4-dihydroisothiochromene-1-thione

4-phenyl-3,4-dihydroisothiochromene-1-thione (PubChem CID 101474013) has the molecular formula C15H12S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 4-phenyl-3,4-dihydroisothiochromene-1-thione.

Molecular Properties

Compound Name4-phenyl-3,4-dihydroisothiochromene-1-thione
PubChem CID101474013
Molecular FormulaC15H12S2
Molecular Weight256.40 g/mol
Exact Mass256.04
IUPAC Name4-phenyl-3,4-dihydroisothiochromene-1-thione
SMILESS=C1SCC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H12S2/c16-15-13-9-5-4-8-12(13)14(10-17-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyDDULEJNMBFPTNZ-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
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9-phenyl-9H-fluorene
CID 13091
(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
CID 144785467
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CID 102167347
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
(1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine
CID 101035160
2,3-bis(ethenyl)-1-phenyl-1H-indene
CID 142104287
3,4-diphenyl-2,3-dihydrothiophene
CID 14921583
1-chloro-2-cyclopropyl-4-phenyl-3,4-dihydro-1H-isoquinoline
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(4S)-4-(4-aminophenyl)-3,4-dihydroisoquinolin-1-amine
CID 124562171

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,4-dihydroisothiochromene-1-thione?
The IUPAC name of 4-phenyl-3,4-dihydroisothiochromene-1-thione (CID 101474013) is 4-phenyl-3,4-dihydroisothiochromene-1-thione.
What is the SMILES notation for 4-phenyl-3,4-dihydroisothiochromene-1-thione?
The canonical SMILES for 4-phenyl-3,4-dihydroisothiochromene-1-thione is S=C1SCC(c2ccccc2)c2ccccc21.
What is the InChIKey of 4-phenyl-3,4-dihydroisothiochromene-1-thione?
The InChIKey is DDULEJNMBFPTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S2/c16-15-13-9-5-4-8-12(13)14(10-17-15)11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 4-phenyl-3,4-dihydroisothiochromene-1-thione?
4-phenyl-3,4-dihydroisothiochromene-1-thione has a molecular weight of 256.40 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,4-dihydroisothiochromene-1-thione is sourced from PubChem (CID 101474013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).