2-(2-methyl-1,3-dithian-2-yl)propan-1-ol

C8H16OS2 — CID 13497632

IUPAC2-(2-methyl-1,3-dithian-2-yl)propan-1-ol
SMILESCC(CO)C1(C)SCCCS1
InChIInChI=1S/C8H16OS2/c1-7(6-9)8(2)10-4-3-5-11-8/h7,9H,3-6H2,1-2H3
InChIKeyFGBJHYLGYUUJHY-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.20
Rot. Bonds2

About 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol

2-(2-methyl-1,3-dithian-2-yl)propan-1-ol (PubChem CID 13497632) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-methyl-1,3-dithian-2-yl)propan-1-ol
PubChem CID13497632
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name2-(2-methyl-1,3-dithian-2-yl)propan-1-ol
SMILESCC(CO)C1(C)SCCCS1
InChIInChI=1S/C8H16OS2/c1-7(6-9)8(2)10-4-3-5-11-8/h7,9H,3-6H2,1-2H3
InChIKeyFGBJHYLGYUUJHY-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

2-(2-Methyl-1,3-dithian-2-yl)ethanol
CID 14508431
(2S)-2-methyl-3-(2-methyl-1,3-dithian-2-yl)propan-1-ol
CID 12000580
1-(1,3-Dithian-2-yl)-2,2-dimethylpropan-1-ol
CID 12140407
2-(1,3-Dithian-2-yl)-2-methylpropan-1-ol
CID 15441852
1-(2-Methyl-1,3-dithian-2-yl)propan-2-ol
CID 91982864
(1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol
CID 130737864
(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol
CID 130927448
(2-Tert-butyl-1,3-dithian-5-yl)methanol
CID 303706
3-(1,3-Dithian-2-yl)-3-methylbutan-1-ol
CID 641991
(3S)-3-(1,3-dithian-2-yl)butan-1-ol
CID 641992
(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-ol
CID 10489139
4-(1,3-Dithian-2-yl)butan-2-ol
CID 13813134

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol?
The IUPAC name of 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol (CID 13497632) is 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol.
What is the SMILES notation for 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol?
The canonical SMILES for 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol is CC(CO)C1(C)SCCCS1.
What is the InChIKey of 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol?
The InChIKey is FGBJHYLGYUUJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-7(6-9)8(2)10-4-3-5-11-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol?
2-(2-methyl-1,3-dithian-2-yl)propan-1-ol has a molecular weight of 192.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dithian-2-yl)propan-1-ol is sourced from PubChem (CID 13497632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).