ethane;2-phenylsulfanylethanethiol

C10H16S2 — CID 142910826

IUPACethane;2-phenylsulfanylethanethiol
SMILESCC.SCCSc1ccccc1
InChIInChI=1S/C8H10S2.C2H6/c9-6-7-10-8-4-2-1-3-5-8;1-2/h1-5,9H,6-7H2;1-2H3
InChIKeyRJDQTVSGMUBDLF-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.73
Rot. Bonds3

About ethane;2-phenylsulfanylethanethiol

ethane;2-phenylsulfanylethanethiol (PubChem CID 142910826) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;2-phenylsulfanylethanethiol.

Molecular Properties

Compound Nameethane;2-phenylsulfanylethanethiol
PubChem CID142910826
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Nameethane;2-phenylsulfanylethanethiol
SMILESCC.SCCSc1ccccc1
InChIInChI=1S/C8H10S2.C2H6/c9-6-7-10-8-4-2-1-3-5-8;1-2/h1-5,9H,6-7H2;1-2H3
InChIKeyRJDQTVSGMUBDLF-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-phenylsulfanylethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylsulfanylphenyl)sulfanylethanethiol
CID 140993719
ethane;phenylsulfanylmethylsulfanylbenzene
CID 158144370
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
lithium 2-phenylsulfanylethanethiolate
CID 102509871
2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
CID 117033741
ethylsulfanylbenzene;dihydrochloride
CID 18353835
ethanethiol;phenylsulfanylbenzene
CID 174826904
2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol
CID 155249081
nickel;octylsulfanylbenzene
CID 157277722
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
2-methyl-4-phenylsulfanylbutan-2-amine
CID 10584022
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenylsulfanylethanethiol?
The IUPAC name of ethane;2-phenylsulfanylethanethiol (CID 142910826) is ethane;2-phenylsulfanylethanethiol.
What is the SMILES notation for ethane;2-phenylsulfanylethanethiol?
The canonical SMILES for ethane;2-phenylsulfanylethanethiol is CC.SCCSc1ccccc1.
What is the InChIKey of ethane;2-phenylsulfanylethanethiol?
The InChIKey is RJDQTVSGMUBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S2.C2H6/c9-6-7-10-8-4-2-1-3-5-8;1-2/h1-5,9H,6-7H2;1-2H3.
What are the key properties of ethane;2-phenylsulfanylethanethiol?
ethane;2-phenylsulfanylethanethiol has a molecular weight of 200.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenylsulfanylethanethiol is sourced from PubChem (CID 142910826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).