2-(2,2-dimethylpropylsulfanyl)ethanethiol

C7H16S2 — CID 146651624

IUPAC2-(2,2-dimethylpropylsulfanyl)ethanethiol
SMILESCC(C)(C)CSCCS
InChIInChI=1S/C7H16S2/c1-7(2,3)6-9-5-4-8/h8H,4-6H2,1-3H3
InChIKeyPILOLBCZKQYQGP-UHFFFAOYSA-N
MW164.34 g/mol
LogP2.70
Rot. Bonds3

About 2-(2,2-dimethylpropylsulfanyl)ethanethiol

2-(2,2-dimethylpropylsulfanyl)ethanethiol (PubChem CID 146651624) has the molecular formula C7H16S2 and a molecular weight of 164.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfanyl)ethanethiol
PubChem CID146651624
Molecular FormulaC7H16S2
Molecular Weight164.34 g/mol
Exact Mass164.07
IUPAC Name2-(2,2-dimethylpropylsulfanyl)ethanethiol
SMILESCC(C)(C)CSCCS
InChIInChI=1S/C7H16S2/c1-7(2,3)6-9-5-4-8/h8H,4-6H2,1-3H3
InChIKeyPILOLBCZKQYQGP-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
1-(2,2-dimethylpropylsulfanyl)pentadecane
CID 54178193
1,1-bis[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol
CID 118093150
1-(2,2-dimethylpropylsulfanyl)-4,4-dimethyl-3-methylidenepentane
CID 139320332
2,2-dimethyl-1-(methylsulfanylmethylsulfanyl)propane
CID 130862087
2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
CID 158899446
1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol
CID 150355710
2-butylsulfanylethanethiol
CID 3613970
1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658
2-(2-aminoethylsulfanyl)ethanethiol
CID 12539289
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
4-sulfanyl-4-(2-sulfanylethylsulfanylmethyl)hepta-2,5-dienedioic acid
CID 87098375

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfanyl)ethanethiol?
The IUPAC name of 2-(2,2-dimethylpropylsulfanyl)ethanethiol (CID 146651624) is 2-(2,2-dimethylpropylsulfanyl)ethanethiol.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfanyl)ethanethiol?
The canonical SMILES for 2-(2,2-dimethylpropylsulfanyl)ethanethiol is CC(C)(C)CSCCS.
What is the InChIKey of 2-(2,2-dimethylpropylsulfanyl)ethanethiol?
The InChIKey is PILOLBCZKQYQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2/c1-7(2,3)6-9-5-4-8/h8H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropylsulfanyl)ethanethiol?
2-(2,2-dimethylpropylsulfanyl)ethanethiol has a molecular weight of 164.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfanyl)ethanethiol is sourced from PubChem (CID 146651624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).