(2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol

C10H18OS2 — CID 10353354

IUPAC(2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](C=C1SCCCS1)CO
InChIInChI=1S/C10H18OS2/c1-8(2)9(7-11)6-10-12-4-3-5-13-10/h6,8-9,11H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyLRLVCUPCRRIZMJ-VIFPVBQESA-N
MW218.39 g/mol
LogP2.96
Rot. Bonds3

About (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol

(2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol (PubChem CID 10353354) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol
PubChem CID10353354
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name(2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](C=C1SCCCS1)CO
InChIInChI=1S/C10H18OS2/c1-8(2)9(7-11)6-10-12-4-3-5-13-10/h6,8-9,11H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyLRLVCUPCRRIZMJ-VIFPVBQESA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(1,3-dithian-2-ylidenemethyl)-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

(2R,3S)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 388414
1-(1,3-Dithian-2-ylidene)-2-methyl-3-pentanol
CID 496245
(2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol
CID 10013667
(2R)-2-(1,3-dithian-2-ylidenemethyl)pent-4-en-1-ol
CID 9990903
(2S,3R)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 10104815
(2R)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol
CID 11820696
(2R,3R)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 13741387
1-(1,3-Dithian-2-ylidene)-2-methylhexan-3-ol
CID 13741388
(2S,3R)-1-(1,3-dithian-2-ylidene)-2,4-dimethylpentan-3-ol
CID 13741392
(2S,3S)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 92341313
(2S,3R)-1-(1,3-dithian-2-ylidene)-2-methylhexan-3-ol
CID 131843194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol (CID 10353354) is (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol is CC(C)[C@@H](C=C1SCCCS1)CO.
What is the InChIKey of (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol?
The InChIKey is LRLVCUPCRRIZMJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18OS2/c1-8(2)9(7-11)6-10-12-4-3-5-13-10/h6,8-9,11H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol?
(2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol has a molecular weight of 218.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dithian-2-ylidenemethyl)-3-methylbutan-1-ol is sourced from PubChem (CID 10353354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).