(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol

C10H20OS2 — CID 10489139

IUPAC(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol
SMILESCC[C@H](C)[C@H](O)CC1SCCCS1
InChIInChI=1S/C10H20OS2/c1-3-8(2)9(11)7-10-12-5-4-6-13-10/h8-11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyYCGDEPUDNLXSOU-DTWKUNHWSA-N
MW220.40 g/mol
LogP2.98
Rot. Bonds4

About (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol

(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol (PubChem CID 10489139) has the molecular formula C10H20OS2 and a molecular weight of 220.40 g/mol. Its IUPAC name is (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol
PubChem CID10489139
Molecular FormulaC10H20OS2
Molecular Weight220.40 g/mol
Exact Mass220.10
IUPAC Name(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol
SMILESCC[C@H](C)[C@H](O)CC1SCCCS1
InChIInChI=1S/C10H20OS2/c1-3-8(2)9(11)7-10-12-5-4-6-13-10/h8-11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyYCGDEPUDNLXSOU-DTWKUNHWSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
2-(1-Hydroxybutyl)-2-methyl-1,3-dithian
CID 12476960
Tetrahydro-2,2-dimethylthiopyran-4-ol
CID 12430720
2-Isopropyl-2-(alpha-Hydroxybutyl)-1,3-Dithiane
CID 14569688
(2S)-2-methyl-3-(2-methyl-1,3-dithian-2-yl)propan-1-ol
CID 12000580
1,1-Bis(ethylsulfanyl)-2,4-dimethylpentan-3-ol
CID 12129078
1-(2-Ethyl-1,3-dithian-2-yl)butan-1-ol
CID 12476962
2-(2-Methyl-1,3-dithian-2-yl)propan-1-ol
CID 13497632
1-(2-Tert-butyl-1,3-dithian-2-yl)butan-1-ol
CID 14569689
1-(1,3-Dithiolan-2-yl)-3-methylbutan-1-ol
CID 15535047
(2S,3R)-1-(1,3-dithian-2-yl)-2-methylheptan-3-ol
CID 56945475
4-Methyl-6,10-dithiaspiro[4.5]decan-2-ol
CID 85706838

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol?
The IUPAC name of (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol (CID 10489139) is (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol.
What is the SMILES notation for (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol?
The canonical SMILES for (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol is CC[C@H](C)[C@H](O)CC1SCCCS1.
What is the InChIKey of (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol?
The InChIKey is YCGDEPUDNLXSOU-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20OS2/c1-3-8(2)9(11)7-10-12-5-4-6-13-10/h8-11H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol?
(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol has a molecular weight of 220.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol is sourced from PubChem (CID 10489139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).