2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol

C10H18O2S3 — CID 14295443

IUPAC2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol
SMILESCSC1(C2(O)CCCCO2)SCCCS1
InChIInChI=1S/C10H18O2S3/c1-13-10(14-7-4-8-15-10)9(11)5-2-3-6-12-9/h11H,2-8H2,1H3
InChIKeyPBBOAIDSFQQNFI-UHFFFAOYSA-N
MW266.45 g/mol
LogP2.76
Rot. Bonds2

About 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol

2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol (PubChem CID 14295443) has the molecular formula C10H18O2S3 and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol.

Molecular Properties

Compound Name2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol
PubChem CID14295443
Molecular FormulaC10H18O2S3
Molecular Weight266.45 g/mol
Exact Mass266.05
IUPAC Name2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol
SMILESCSC1(C2(O)CCCCO2)SCCCS1
InChIInChI=1S/C10H18O2S3/c1-13-10(14-7-4-8-15-10)9(11)5-2-3-6-12-9/h11H,2-8H2,1H3
InChIKeyPBBOAIDSFQQNFI-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol?
The IUPAC name of 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol (CID 14295443) is 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol.
What is the SMILES notation for 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol?
The canonical SMILES for 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol is CSC1(C2(O)CCCCO2)SCCCS1.
What is the InChIKey of 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol?
The InChIKey is PBBOAIDSFQQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S3/c1-13-10(14-7-4-8-15-10)9(11)5-2-3-6-12-9/h11H,2-8H2,1H3.
What are the key properties of 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol?
2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol has a molecular weight of 266.45 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-1,3-dithian-2-yl)oxan-2-ol is sourced from PubChem (CID 14295443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).