(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran

C7H12S — CID 134996658

IUPAC(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran
SMILESC[C@@H]1SC=CC[C@@H]1C
InChIInChI=1S/C7H12S/c1-6-4-3-5-8-7(6)2/h3,5-7H,4H2,1-2H3/t6-,7-/m0/s1
InChIKeyPWMDOTJWMXXMHU-BQBZGAKWSA-N
MW128.24 g/mol
LogP2.66
Rot. Bonds

About (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran

(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran (PubChem CID 134996658) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran
PubChem CID134996658
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran
SMILESC[C@@H]1SC=CC[C@@H]1C
InChIInChI=1S/C7H12S/c1-6-4-3-5-8-7(6)2/h3,5-7H,4H2,1-2H3/t6-,7-/m0/s1
InChIKeyPWMDOTJWMXXMHU-BQBZGAKWSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3,4-dihydro-2H-thiopyran
CID 12570888
3-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 14223532
4-ethyl-4H-thiopyran
CID 68340362
3-methyl-3,4-dihydro-2H-thiopyran
CID 14223540
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
(3R)-3-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 162846130
3-Prop-2-enylthiolane
CID 12759728
2,3-Dimethyl-2,3-dihydrothiophene
CID 18975102
3,4-dimethyl-3,4-dihydro-2H-thiopyran
CID 20475567
4-Methyl-6-methylsulfanylhex-1-ene
CID 53759535
3-Propan-2-yl-2,3-dihydrothiophene
CID 56987677
3-Ethyl-2,3-dihydrothiophene
CID 57009138

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran (CID 134996658) is (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran is C[C@@H]1SC=CC[C@@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran?
The InChIKey is PWMDOTJWMXXMHU-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12S/c1-6-4-3-5-8-7(6)2/h3,5-7H,4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran?
(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran has a molecular weight of 128.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 134996658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).