5-(thian-2-yl)-3,4-dihydro-2H-thiopyran

C10H16S2 — CID 14448769

IUPAC5-(thian-2-yl)-3,4-dihydro-2H-thiopyran
SMILESC1=C(C2CCCCS2)CCCS1
InChIInChI=1S/C10H16S2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h8,10H,1-7H2
InChIKeyMZCUTLNVAHXTBD-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.68
Rot. Bonds1

About 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran

5-(thian-2-yl)-3,4-dihydro-2H-thiopyran (PubChem CID 14448769) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name5-(thian-2-yl)-3,4-dihydro-2H-thiopyran
PubChem CID14448769
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name5-(thian-2-yl)-3,4-dihydro-2H-thiopyran
SMILESC1=C(C2CCCCS2)CCCS1
InChIInChI=1S/C10H16S2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h8,10H,1-7H2
InChIKeyMZCUTLNVAHXTBD-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran?
The IUPAC name of 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran (CID 14448769) is 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran is C1=C(C2CCCCS2)CCCS1.
What is the InChIKey of 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran?
The InChIKey is MZCUTLNVAHXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h8,10H,1-7H2.
What are the key properties of 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran?
5-(thian-2-yl)-3,4-dihydro-2H-thiopyran has a molecular weight of 200.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thian-2-yl)-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 14448769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).