2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol

C7H18S6 — CID 160544641

IUPAC2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
SMILESSCCCSCS.SCCSCS
InChIInChI=1S/C4H10S3.C3H8S3/c5-2-1-3-7-4-6;4-1-2-6-3-5/h5-6H,1-4H2;4-5H,1-3H2
InChIKeyQXGLLVJUNIAGNZ-UHFFFAOYSA-N
MW294.62 g/mol
LogP3.46
Rot. Bonds7

About 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol

2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol (PubChem CID 160544641) has the molecular formula C7H18S6 and a molecular weight of 294.62 g/mol. Its IUPAC name is 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
PubChem CID160544641
Molecular FormulaC7H18S6
Molecular Weight294.62 g/mol
Exact Mass293.97
IUPAC Name2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
SMILESSCCCSCS.SCCSCS
InChIInChI=1S/C4H10S3.C3H8S3/c5-2-1-3-7-4-6;4-1-2-6-3-5/h5-6H,1-4H2;4-5H,1-3H2
InChIKeyQXGLLVJUNIAGNZ-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.62
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol?
The IUPAC name of 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol (CID 160544641) is 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol.
What is the SMILES notation for 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol?
The canonical SMILES for 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol is SCCCSCS.SCCSCS.
What is the InChIKey of 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol?
The InChIKey is QXGLLVJUNIAGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S3.C3H8S3/c5-2-1-3-7-4-6;4-1-2-6-3-5/h5-6H,1-4H2;4-5H,1-3H2.
What are the key properties of 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol?
2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol has a molecular weight of 294.62 g/mol, XLogP of 3.46, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol is sourced from PubChem (CID 160544641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).