1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol

C14H30O2S3 — CID 22217668

IUPAC1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol
SMILESCC(C)(C)SCC(O)CSCC(O)CSC(C)(C)C
InChIInChI=1S/C14H30O2S3/c1-13(2,3)18-9-11(15)7-17-8-12(16)10-19-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyGOWRNPDLTMZRBO-UHFFFAOYSA-N
MW326.59 g/mol
LogP3.50
Rot. Bonds8

About 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol

1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol (PubChem CID 22217668) has the molecular formula C14H30O2S3 and a molecular weight of 326.59 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol
PubChem CID22217668
Molecular FormulaC14H30O2S3
Molecular Weight326.59 g/mol
Exact Mass326.14
IUPAC Name1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol
SMILESCC(C)(C)SCC(O)CSCC(O)CSC(C)(C)C
InChIInChI=1S/C14H30O2S3/c1-13(2,3)18-9-11(15)7-17-8-12(16)10-19-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyGOWRNPDLTMZRBO-UHFFFAOYSA-N
XLogP3.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol?
The IUPAC name of 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol (CID 22217668) is 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol is CC(C)(C)SCC(O)CSCC(O)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol?
The InChIKey is GOWRNPDLTMZRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S3/c1-13(2,3)18-9-11(15)7-17-8-12(16)10-19-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3.
What are the key properties of 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol?
1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol has a molecular weight of 326.59 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylpropan-2-ol is sourced from PubChem (CID 22217668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).