(2S,6R)-2,6-dimethylthiane

C7H14S — CID 6428521

IUPAC(2S,6R)-2,6-dimethylthiane
SMILESC[C@@H]1CCC[C@H](C)S1
InChIInChI=1S/C7H14S/c1-6-4-3-5-7(2)8-6/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyIHAMTZXWAMHHET-KNVOCYPGSA-N
MW130.26 g/mol
LogP2.68
Rot. Bonds

About (2S,6R)-2,6-dimethylthiane

(2S,6R)-2,6-dimethylthiane (PubChem CID 6428521) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylthiane.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylthiane
PubChem CID6428521
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name(2S,6R)-2,6-dimethylthiane
SMILESC[C@@H]1CCC[C@H](C)S1
InChIInChI=1S/C7H14S/c1-6-4-3-5-7(2)8-6/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyIHAMTZXWAMHHET-KNVOCYPGSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thiane
CID 15367
2-Methylthiane
CID 51758
2-Ethylthiacyclohexane
CID 519221
2-Butylthiane
CID 528239
2H-Thiopyranium, tetrahydro-1-methyl-
CID 417894
2-Hexyl-1,3-dithiane
CID 577277
2-Propyltetrahydro-2H-thiopyran
CID 528240
2,6-Dimethylthiane
CID 13551188
2-Pentylthiane
CID 12575106
6-Methyl-2,3,4,5-tetrahydrothiopyran-6-ylium
CID 57304547
(2S)-2-methylthiane
CID 68324174
trans-2,6-Dimethyl-thiacyclohexane
CID 6428528

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylthiane?
The IUPAC name of (2S,6R)-2,6-dimethylthiane (CID 6428521) is (2S,6R)-2,6-dimethylthiane.
What is the SMILES notation for (2S,6R)-2,6-dimethylthiane?
The canonical SMILES for (2S,6R)-2,6-dimethylthiane is C[C@@H]1CCC[C@H](C)S1.
What is the InChIKey of (2S,6R)-2,6-dimethylthiane?
The InChIKey is IHAMTZXWAMHHET-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H14S/c1-6-4-3-5-7(2)8-6/h6-7H,3-5H2,1-2H3/t6-,7+.
What are the key properties of (2S,6R)-2,6-dimethylthiane?
(2S,6R)-2,6-dimethylthiane has a molecular weight of 130.26 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylthiane is sourced from PubChem (CID 6428521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).