cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol

C10H18OS2 — CID 103345165

IUPACcyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol
SMILESCC1SCC(C(O)C2CC2)SC1C
InChIInChI=1S/C10H18OS2/c1-6-7(2)13-9(5-12-6)10(11)8-3-4-8/h6-11H,3-5H2,1-2H3
InChIKeyCTLZWFZXOYZLBG-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.38
Rot. Bonds2

About cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol

cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol (PubChem CID 103345165) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Namecyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol
PubChem CID103345165
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Namecyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol
SMILESCC1SCC(C(O)C2CC2)SC1C
InChIInChI=1S/C10H18OS2/c1-6-7(2)13-9(5-12-6)10(11)8-3-4-8/h6-11H,3-5H2,1-2H3
InChIKeyCTLZWFZXOYZLBG-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,6-dimethyl-1,4-dithian-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 103345120
1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345709
(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 103345318
N-[cyclobutyl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346149
2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345724
1-(5,6-dimethyl-1,4-dithian-2-yl)pent-4-yn-1-ol
CID 103345085
1,4-dithian-2-yl-(4-methylcyclohexyl)methanol
CID 79973457
(1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine
CID 103347015
1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103346005
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103345883
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 103345778
(3,4-difluorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345312

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The IUPAC name of cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol (CID 103345165) is cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol.
What is the SMILES notation for cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The canonical SMILES for cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol is CC1SCC(C(O)C2CC2)SC1C.
What is the InChIKey of cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
The InChIKey is CTLZWFZXOYZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-6-7(2)13-9(5-12-6)10(11)8-3-4-8/h6-11H,3-5H2,1-2H3.
What are the key properties of cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol?
cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol has a molecular weight of 218.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol is sourced from PubChem (CID 103345165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).