2-tritylsulfanylethanethiol

C21H20S2 — CID 59035458

IUPAC2-tritylsulfanylethanethiol
SMILESSCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20S2/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChIKeyFRDUHABTQHWBNN-UHFFFAOYSA-N
MW336.53 g/mol
LogP5.64
Rot. Bonds6

About 2-tritylsulfanylethanethiol

2-tritylsulfanylethanethiol (PubChem CID 59035458) has the molecular formula C21H20S2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 2-tritylsulfanylethanethiol.

Molecular Properties

Compound Name2-tritylsulfanylethanethiol
PubChem CID59035458
Molecular FormulaC21H20S2
Molecular Weight336.53 g/mol
Exact Mass336.10
IUPAC Name2-tritylsulfanylethanethiol
SMILESSCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20S2/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChIKeyFRDUHABTQHWBNN-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tritylsulfanylpentan-1-amine
CID 71533766
N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide
CID 89114679
1-hydroxy-6-tritylsulfanylhexan-2-one
CID 59179865
1,13-bis(tritylsulfanyl)tridecan-7-amine
CID 138687409
1-ethyl-3-(2-tritylsulfanylethyl)benzene
CID 130222223
2-oxo-2-(2-tritylsulfanylethylamino)acetic acid
CID 11143657
2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine
CID 71339520
2-[2-(3-tritylsulfanylpropoxy)ethoxy]ethanol
CID 46939497
2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine
CID 71583036
N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine
CID 15425024
2-hydroxy-6-tritylsulfanylhexanoic acid
CID 156778472
2-(2-tritylsulfanylethylamino)acetamide
CID 140602369

Frequently Asked Questions

What is the IUPAC name of 2-tritylsulfanylethanethiol?
The IUPAC name of 2-tritylsulfanylethanethiol (CID 59035458) is 2-tritylsulfanylethanethiol.
What is the SMILES notation for 2-tritylsulfanylethanethiol?
The canonical SMILES for 2-tritylsulfanylethanethiol is SCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-tritylsulfanylethanethiol?
The InChIKey is FRDUHABTQHWBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S2/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2.
What are the key properties of 2-tritylsulfanylethanethiol?
2-tritylsulfanylethanethiol has a molecular weight of 336.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tritylsulfanylethanethiol is sourced from PubChem (CID 59035458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).