2-(1,3-dithian-2-yl)-2-methylpropan-1-ol

C8H16OS2 — CID 15441852

IUPAC2-(1,3-dithian-2-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)C1SCCCS1
InChIInChI=1S/C8H16OS2/c1-8(2,6-9)7-10-4-3-5-11-7/h7,9H,3-6H2,1-2H3
InChIKeyIJBUVUBVQDEJCX-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.20
Rot. Bonds2

About 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol

2-(1,3-dithian-2-yl)-2-methylpropan-1-ol (PubChem CID 15441852) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)-2-methylpropan-1-ol
PubChem CID15441852
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name2-(1,3-dithian-2-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)C1SCCCS1
InChIInChI=1S/C8H16OS2/c1-8(2,6-9)7-10-4-3-5-11-7/h7,9H,3-6H2,1-2H3
InChIKeyIJBUVUBVQDEJCX-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-Methyl[1,3]dithian-2-yl)methanol
CID 583620
2-(1,3-Dithian-2-yl)ethan-1-ol
CID 12778191
2-(2-Methyl-1,3-dithian-2-yl)ethanol
CID 14508431
1,3,5-Trithiane-2,4,6-triethanol, alpha2,alpha4,alpha6-trimethyl-
CID 44145154
2-Tert-butyl-1,3-dithian-5-ol
CID 303703
1-(1,3-Dithian-2-yl)-2,2-dimethylpropan-1-ol
CID 12140407
2-(2-Methyl-1,3-dithian-2-yl)propan-1-ol
CID 13497632
2,2-Bis (butylthio)-1-propanol
CID 129806882
1-Hydroxy-3,3-bis(butylthio)propane
CID 129806971
2-Methyl-2-(1-oxo-1,3-dithian-2-yl)propan-1-ol
CID 134994563
1-(4,6-Dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol
CID 135082250
(2-Tert-butyl-1,3-dithian-5-yl)methanol
CID 303706

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol (CID 15441852) is 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol is CC(C)(CO)C1SCCCS1.
What is the InChIKey of 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol?
The InChIKey is IJBUVUBVQDEJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-8(2,6-9)7-10-4-3-5-11-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(1,3-dithian-2-yl)-2-methylpropan-1-ol?
2-(1,3-dithian-2-yl)-2-methylpropan-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-(1,3-dithian-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 15441852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).