2-(3-ethylsulfanylphenyl)sulfanylethanethiol

C10H14S3 — CID 140993719

IUPAC2-(3-ethylsulfanylphenyl)sulfanylethanethiol
SMILESCCSc1cccc(SCCS)c1
InChIInChI=1S/C10H14S3/c1-2-12-9-4-3-5-10(8-9)13-7-6-11/h3-5,8,11H,2,6-7H2,1H3
InChIKeyBKURZAHALONGOG-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-ethylsulfanylphenyl)sulfanylethanethiol

2-(3-ethylsulfanylphenyl)sulfanylethanethiol (PubChem CID 140993719) has the molecular formula C10H14S3 and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-(3-ethylsulfanylphenyl)sulfanylethanethiol.

Molecular Properties

Compound Name2-(3-ethylsulfanylphenyl)sulfanylethanethiol
PubChem CID140993719
Molecular FormulaC10H14S3
Molecular Weight230.42 g/mol
Exact Mass230.03
IUPAC Name2-(3-ethylsulfanylphenyl)sulfanylethanethiol
SMILESCCSc1cccc(SCCS)c1
InChIInChI=1S/C10H14S3/c1-2-12-9-4-3-5-10(8-9)13-7-6-11/h3-5,8,11H,2,6-7H2,1H3
InChIKeyBKURZAHALONGOG-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]phenyl]sulfanylethylsulfanyl]ethanethiol
CID 155249081
ethane;2-phenylsulfanylethanethiol
CID 142910826
1,3-bis(2-methylsulfanylethylsulfanyl)benzene
CID 174193646
9-(3-methylphenyl)sulfanylnonane-1-thiol
CID 105344760
2-ethylsulfanyl-3-(2-sulfanylethylsulfanyl)phenol
CID 87569082
ethylsulfanylbenzene;dihydrochloride
CID 18353835
3-ethylsulfanyl-N-propan-2-ylaniline
CID 115885090
3-(3-ethylsulfanylphenyl)prop-2-en-1-ol
CID 169453161
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol
CID 117033721
(3-propylsulfanylphenyl)methanamine
CID 66356001
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanylphenyl)sulfanylethanethiol?
The IUPAC name of 2-(3-ethylsulfanylphenyl)sulfanylethanethiol (CID 140993719) is 2-(3-ethylsulfanylphenyl)sulfanylethanethiol.
What is the SMILES notation for 2-(3-ethylsulfanylphenyl)sulfanylethanethiol?
The canonical SMILES for 2-(3-ethylsulfanylphenyl)sulfanylethanethiol is CCSc1cccc(SCCS)c1.
What is the InChIKey of 2-(3-ethylsulfanylphenyl)sulfanylethanethiol?
The InChIKey is BKURZAHALONGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S3/c1-2-12-9-4-3-5-10(8-9)13-7-6-11/h3-5,8,11H,2,6-7H2,1H3.
What are the key properties of 2-(3-ethylsulfanylphenyl)sulfanylethanethiol?
2-(3-ethylsulfanylphenyl)sulfanylethanethiol has a molecular weight of 230.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanylphenyl)sulfanylethanethiol is sourced from PubChem (CID 140993719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).