[diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol

C14H16S3 — CID 174727421

IUPAC[diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol
SMILESSCS(CS)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16S3/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyGTOLJCSQGXALSM-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.68
Rot. Bonds4

About [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol

[diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol (PubChem CID 174727421) has the molecular formula C14H16S3 and a molecular weight of 280.48 g/mol. Its IUPAC name is [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol.

Molecular Properties

Compound Name[diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol
PubChem CID174727421
Molecular FormulaC14H16S3
Molecular Weight280.48 g/mol
Exact Mass280.04
IUPAC Name[diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol
SMILESSCS(CS)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16S3/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyGTOLJCSQGXALSM-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

diphenyl-bis(sulfanyl)-λ4-sulfane
CID 21256147
CID 53446764
CID 53446764
hydroxy-diphenyl-sulfanyl-λ4-sulfane
CID 175493939
1,1'-biphenyl;phenylmethanethiol
CID 172707526
chloro(triphenyl)-λ4-sulfane
CID 153467777
benzene;tris(1,1'-biphenyl)
CID 162155747
CID 175237801
CID 175237801
2-(triphenyl-λ4-sulfanyl)ethanamine
CID 126628928
azanylidyne-diphenyl-(4-phenylphenyl)-λ6-sulfane
CID 102435167
CID 88793655
CID 88793655
[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane
CID 167154831
dihydroxy-methyl-phenyl-λ4-sulfane
CID 58227647

Frequently Asked Questions

What is the IUPAC name of [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol?
The IUPAC name of [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol (CID 174727421) is [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol.
What is the SMILES notation for [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol?
The canonical SMILES for [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol is SCS(CS)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol?
The InChIKey is GTOLJCSQGXALSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S3/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol?
[diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol has a molecular weight of 280.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(sulfanylmethyl)-λ4-sulfanyl]methanethiol is sourced from PubChem (CID 174727421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).