4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol

C10H20S4 — CID 142185390

IUPAC4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol
SMILESCC(S)CC(C)(C)C1SCC(CS)S1
InChIInChI=1S/C10H20S4/c1-7(12)4-10(2,3)9-13-6-8(5-11)14-9/h7-9,11-12H,4-6H2,1-3H3
InChIKeyLGHJFPLDOIMXRN-UHFFFAOYSA-N
MW268.54 g/mol
LogP3.83
Rot. Bonds4

About 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol

4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol (PubChem CID 142185390) has the molecular formula C10H20S4 and a molecular weight of 268.54 g/mol. Its IUPAC name is 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol.

Molecular Properties

Compound Name4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol
PubChem CID142185390
Molecular FormulaC10H20S4
Molecular Weight268.54 g/mol
Exact Mass268.04
IUPAC Name4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol
SMILESCC(S)CC(C)(C)C1SCC(CS)S1
InChIInChI=1S/C10H20S4/c1-7(12)4-10(2,3)9-13-6-8(5-11)14-9/h7-9,11-12H,4-6H2,1-3H3
InChIKeyLGHJFPLDOIMXRN-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol?
The IUPAC name of 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol (CID 142185390) is 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol.
What is the SMILES notation for 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol?
The canonical SMILES for 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol is CC(S)CC(C)(C)C1SCC(CS)S1.
What is the InChIKey of 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol?
The InChIKey is LGHJFPLDOIMXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S4/c1-7(12)4-10(2,3)9-13-6-8(5-11)14-9/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol?
4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol has a molecular weight of 268.54 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]pentane-2-thiol is sourced from PubChem (CID 142185390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).