(5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol

C13H19NOS2 — CID 103345172

IUPAC(5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)C2CSC(C)C(C)S2)cn1
InChIInChI=1S/C13H19NOS2/c1-8-4-5-11(6-14-8)13(15)12-7-16-9(2)10(3)17-12/h4-6,9-10,12-13,15H,7H2,1-3H3
InChIKeyWGODZNQFRIWHAO-UHFFFAOYSA-N
MW269.44 g/mol
LogP3.05
Rot. Bonds2

About (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol

(5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 103345172) has the molecular formula C13H19NOS2 and a molecular weight of 269.44 g/mol. Its IUPAC name is (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol
PubChem CID103345172
Molecular FormulaC13H19NOS2
Molecular Weight269.44 g/mol
Exact Mass269.09
IUPAC Name(5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)C2CSC(C)C(C)S2)cn1
InChIInChI=1S/C13H19NOS2/c1-8-4-5-11(6-14-8)13(15)12-7-16-9(2)10(3)17-12/h4-6,9-10,12-13,15H,7H2,1-3H3
InChIKeyWGODZNQFRIWHAO-UHFFFAOYSA-N
XLogP3.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345266
(5,6-dimethyl-1,4-dithian-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 103345091
(3,4-difluorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345312
(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanol
CID 107192253
(3-methyloxolan-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 115796862
(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115386698
1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol
CID 71750573
(4-chlorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345442
(5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345211
(2-methylcyclopropyl)-(6-methyl-3-pyridinyl)methanamine
CID 65422768
(6-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105096831
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol (CID 103345172) is (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)C2CSC(C)C(C)S2)cn1.
What is the InChIKey of (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is WGODZNQFRIWHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-8-4-5-11(6-14-8)13(15)12-7-16-9(2)10(3)17-12/h4-6,9-10,12-13,15H,7H2,1-3H3.
What are the key properties of (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol?
(5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 269.44 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 103345172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).