[6-(sulfanylmethyl)selenan-2-yl]methanethiol

C7H14S2Se — CID 20695358

IUPAC[6-(sulfanylmethyl)selenan-2-yl]methanethiol
SMILESSCC1CCCC(CS)[Se]1
InChIInChI=1S/C7H14S2Se/c8-4-6-2-1-3-7(5-9)10-6/h6-9H,1-5H2
InChIKeyMSYGROIBQNGIFW-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.31
Rot. Bonds2

About [6-(sulfanylmethyl)selenan-2-yl]methanethiol

[6-(sulfanylmethyl)selenan-2-yl]methanethiol (PubChem CID 20695358) has the molecular formula C7H14S2Se and a molecular weight of 241.28 g/mol. Its IUPAC name is [6-(sulfanylmethyl)selenan-2-yl]methanethiol.

Molecular Properties

Compound Name[6-(sulfanylmethyl)selenan-2-yl]methanethiol
PubChem CID20695358
Molecular FormulaC7H14S2Se
Molecular Weight241.28 g/mol
Exact Mass241.97
IUPAC Name[6-(sulfanylmethyl)selenan-2-yl]methanethiol
SMILESSCC1CCCC(CS)[Se]1
InChIInChI=1S/C7H14S2Se/c8-4-6-2-1-3-7(5-9)10-6/h6-9H,1-5H2
InChIKeyMSYGROIBQNGIFW-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(sulfanylmethyl)selenan-2-yl]methanethiol?
The IUPAC name of [6-(sulfanylmethyl)selenan-2-yl]methanethiol (CID 20695358) is [6-(sulfanylmethyl)selenan-2-yl]methanethiol.
What is the SMILES notation for [6-(sulfanylmethyl)selenan-2-yl]methanethiol?
The canonical SMILES for [6-(sulfanylmethyl)selenan-2-yl]methanethiol is SCC1CCCC(CS)[Se]1.
What is the InChIKey of [6-(sulfanylmethyl)selenan-2-yl]methanethiol?
The InChIKey is MSYGROIBQNGIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2Se/c8-4-6-2-1-3-7(5-9)10-6/h6-9H,1-5H2.
What are the key properties of [6-(sulfanylmethyl)selenan-2-yl]methanethiol?
[6-(sulfanylmethyl)selenan-2-yl]methanethiol has a molecular weight of 241.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(sulfanylmethyl)selenan-2-yl]methanethiol is sourced from PubChem (CID 20695358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).