disulfanyl(diphenyl)methanethiol

C13H12S3 — CID 10920250

IUPACdisulfanyl(diphenyl)methanethiol
SMILESSSC(S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12S3/c14-13(16-15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14-15H
InChIKeyZCSKJBCDZWCXIM-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.40
Rot. Bonds3

About disulfanyl(diphenyl)methanethiol

disulfanyl(diphenyl)methanethiol (PubChem CID 10920250) has the molecular formula C13H12S3 and a molecular weight of 264.44 g/mol. Its IUPAC name is disulfanyl(diphenyl)methanethiol.

Molecular Properties

Compound Namedisulfanyl(diphenyl)methanethiol
PubChem CID10920250
Molecular FormulaC13H12S3
Molecular Weight264.44 g/mol
Exact Mass264.01
IUPAC Namedisulfanyl(diphenyl)methanethiol
SMILESSSC(S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12S3/c14-13(16-15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14-15H
InChIKeyZCSKJBCDZWCXIM-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine
CID 175085870
2-phenyl-2,2-bis(sulfanyl)acetaldehyde
CID 90879722
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
2-hydroxy-2-phenyl-2-sulfanylacetonitrile
CID 54416139
1,1,1,3,3,3-hexafluoro-2-phenoxypropane-2-thiol
CID 144882533
[nitrososulfanyl(diphenyl)methyl]benzene;triphenylmethanethiol
CID 159261235
dimethyl(2-phenylpropan-2-yl)borane
CID 154556081
[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene
CID 16754466
(1,2-diphenoxy-1,2,2-triphenylethyl)benzene
CID 10164874
tris(tert-butylbenzene);ethane;toluene
CID 158234120

Frequently Asked Questions

What is the IUPAC name of disulfanyl(diphenyl)methanethiol?
The IUPAC name of disulfanyl(diphenyl)methanethiol (CID 10920250) is disulfanyl(diphenyl)methanethiol.
What is the SMILES notation for disulfanyl(diphenyl)methanethiol?
The canonical SMILES for disulfanyl(diphenyl)methanethiol is SSC(S)(c1ccccc1)c1ccccc1.
What is the InChIKey of disulfanyl(diphenyl)methanethiol?
The InChIKey is ZCSKJBCDZWCXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12S3/c14-13(16-15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14-15H.
What are the key properties of disulfanyl(diphenyl)methanethiol?
disulfanyl(diphenyl)methanethiol has a molecular weight of 264.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanyl(diphenyl)methanethiol is sourced from PubChem (CID 10920250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).