1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol

C8H16OS2 — CID 15535047

IUPAC1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1SCCS1
InChIInChI=1S/C8H16OS2/c1-6(2)5-7(9)8-10-3-4-11-8/h6-9H,3-5H2,1-2H3
InChIKeyRUEPWRVDWOXVRT-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.20
Rot. Bonds3

About 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol

1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol (PubChem CID 15535047) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol
PubChem CID15535047
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1SCCS1
InChIInChI=1S/C8H16OS2/c1-6(2)5-7(9)8-10-3-4-11-8/h6-9H,3-5H2,1-2H3
InChIKeyRUEPWRVDWOXVRT-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-1-(1,3-dithian-2-yl)-3-methylbutan-1-amine
CID 130731467
3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
1-(1,4-dithian-2-yl)-5-methylhexan-1-ol
CID 83161548
1-(1,3-dithiolan-2-yl)ethanethiol
CID 174424849
4-methyl-1-(thiolan-2-yl)pentan-1-ol
CID 80622430
(3S)-3-(1,3-dithian-2-yl)butan-1-ol
CID 641992
3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472
4-(1,3-dithian-2-yl)-3-methylpentan-1-ol
CID 577073
1-cyclopropyl-4-methylpentane-1,2-diol
CID 103456758
[(1S)-1-(1,3-dithiolan-2-yl)ethyl] acetate
CID 14290524
1-(2,5-dimethylcyclohex-3-en-1-yl)-3-methylbutan-1-ol
CID 130126688
bis(1,3-dithian-2-yl)methanol
CID 15195213

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol (CID 15535047) is 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol is CC(C)CC(O)C1SCCS1.
What is the InChIKey of 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol?
The InChIKey is RUEPWRVDWOXVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-6(2)5-7(9)8-10-3-4-11-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol?
1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol has a molecular weight of 192.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 15535047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).