(2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran

C8H14S2 — CID 138567195

IUPAC(2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran
SMILESC[C@H]1CC2SCCCC2S1
InChIInChI=1S/C8H14S2/c1-6-5-8-7(10-6)3-2-4-9-8/h6-8H,2-5H2,1H3/t6-,7?,8?/m0/s1
InChIKeyHCTUEWRRRCPKDQ-KKMMWDRVSA-N
MW174.33 g/mol
LogP2.78
Rot. Bonds

About (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran

(2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran (PubChem CID 138567195) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran.

Molecular Properties

Compound Name(2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran
PubChem CID138567195
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name(2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran
SMILESC[C@H]1CC2SCCCC2S1
InChIInChI=1S/C8H14S2/c1-6-5-8-7(10-6)3-2-4-9-8/h6-8H,2-5H2,1H3/t6-,7?,8?/m0/s1
InChIKeyHCTUEWRRRCPKDQ-KKMMWDRVSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173028007
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CID 131974497
2,6-bis(thiiran-2-yl)thiane
CID 87706700
bis(2-cycloheptylthiepane);hydrate
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2-(4-tert-butylcyclohex-3-en-1-yl)thiolane
CID 71107958
3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromen-5-amine;hydrochloride
CID 71389042
2,5-dimethylthiolane-3-thiol
CID 22572182
1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole
CID 82417838
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(2R)-2-ethylthiolane
CID 643409

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran?
The IUPAC name of (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran (CID 138567195) is (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran.
What is the SMILES notation for (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran?
The canonical SMILES for (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran is C[C@H]1CC2SCCCC2S1.
What is the InChIKey of (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran?
The InChIKey is HCTUEWRRRCPKDQ-KKMMWDRVSA-N. The full InChI is InChI=1S/C8H14S2/c1-6-5-8-7(10-6)3-2-4-9-8/h6-8H,2-5H2,1H3/t6-,7?,8?/m0/s1.
What are the key properties of (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran?
(2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran has a molecular weight of 174.33 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran is sourced from PubChem (CID 138567195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).