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

C8H16OS2 — CID 130927448

IUPAC(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol
SMILESC[C@H](O)CC1(C)SCCCS1
InChIInChI=1S/C8H16OS2/c1-7(9)6-8(2)10-4-3-5-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYGYXMZPZVVVERY-ZETCQYMHSA-N
MW192.35 g/mol
LogP2.34
Rot. Bonds2

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

(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol (PubChem CID 130927448) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol
PubChem CID130927448
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol
SMILESC[C@H](O)CC1(C)SCCCS1
InChIInChI=1S/C8H16OS2/c1-7(9)6-8(2)10-4-3-5-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYGYXMZPZVVVERY-ZETCQYMHSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydrothiopyran-3-ol
CID 90725
1-[1,3]Dithian-2-ylpropan-2-ol
CID 601195
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
(alphaS)-alpha-Methyl-1,3-dithiane-2-ethanol
CID 11745201
2-(2-Methyl-1,3-dithian-2-yl)ethanol
CID 14508431
1-(Propylsulfanyl)pentan-2-ol
CID 65130016
1,3,5-Trithiane-2,4,6-triethanol, alpha2,alpha4,alpha6-trimethyl-
CID 44145154
2-Tert-butyl-1,3-dithian-5-ol
CID 303703
2-Pentanol, 1-t-butylthio-
CID 546590
(r)-3-Hydroxytetrahydrothiapyran
CID 7058058

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol (CID 130927448) is (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol is C[C@H](O)CC1(C)SCCCS1.
What is the InChIKey of (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol?
The InChIKey is YGYXMZPZVVVERY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16OS2/c1-7(9)6-8(2)10-4-3-5-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol?
(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol has a molecular weight of 192.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol is sourced from PubChem (CID 130927448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).