1-(2-propyl-1,3-dithian-2-yl)ethanol

C9H18OS2 — CID 21195365

IUPAC1-(2-propyl-1,3-dithian-2-yl)ethanol
SMILESCCCC1(C(C)O)SCCCS1
InChIInChI=1S/C9H18OS2/c1-3-5-9(8(2)10)11-6-4-7-12-9/h8,10H,3-7H2,1-2H3
InChIKeyKXASLQGKDZIJIX-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.73
Rot. Bonds3

About 1-(2-propyl-1,3-dithian-2-yl)ethanol

1-(2-propyl-1,3-dithian-2-yl)ethanol (PubChem CID 21195365) has the molecular formula C9H18OS2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 1-(2-propyl-1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-propyl-1,3-dithian-2-yl)ethanol
PubChem CID21195365
Molecular FormulaC9H18OS2
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name1-(2-propyl-1,3-dithian-2-yl)ethanol
SMILESCCCC1(C(C)O)SCCCS1
InChIInChI=1S/C9H18OS2/c1-3-5-9(8(2)10)11-6-4-7-12-9/h8,10H,3-7H2,1-2H3
InChIKeyKXASLQGKDZIJIX-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Mannose, 6-deoxy-, cyclic 1,3-propanediyl dithioacetal
CID 54766604
2-(Propan-2-ylsulfanyl)cyclohexan-1-ol
CID 60878810
6,10-Dithiaspiro[4.5]decan-2-ol
CID 10965313
1,3-Dithiane-2-butanol
CID 12233632
2-(1-Hydroxybutyl)-2-methyl-1,3-dithian
CID 12476960
2-Hexanol, 1,1'-thiobis-
CID 548443
1,5-Dithiaspiro[5.5]undecan-10-ol
CID 12462567
1,5-Dithiaspiro[5.5]undecan-9-ol
CID 14685390
1-Propylthiohexan-2-ol
CID 65130132
trans-(1R,2R)-2-butylsulfanylcyclohexan-1-ol
CID 13511619
1-(Butylsulfanyl)hexan-2-ol
CID 14094711
1-(Octylsulfanyl)hexane-2-ol
CID 19102251

Frequently Asked Questions

What is the IUPAC name of 1-(2-propyl-1,3-dithian-2-yl)ethanol?
The IUPAC name of 1-(2-propyl-1,3-dithian-2-yl)ethanol (CID 21195365) is 1-(2-propyl-1,3-dithian-2-yl)ethanol.
What is the SMILES notation for 1-(2-propyl-1,3-dithian-2-yl)ethanol?
The canonical SMILES for 1-(2-propyl-1,3-dithian-2-yl)ethanol is CCCC1(C(C)O)SCCCS1.
What is the InChIKey of 1-(2-propyl-1,3-dithian-2-yl)ethanol?
The InChIKey is KXASLQGKDZIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS2/c1-3-5-9(8(2)10)11-6-4-7-12-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(2-propyl-1,3-dithian-2-yl)ethanol?
1-(2-propyl-1,3-dithian-2-yl)ethanol has a molecular weight of 206.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propyl-1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 21195365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).