3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran

C12H18S3 — CID 14223542

IUPAC3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran
SMILESC1=CSCC(CSCC2CC=CSC2)C1
InChIInChI=1S/C12H18S3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyFQGDZHAIBDPTEP-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.25
Rot. Bonds4

About 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran

3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran (PubChem CID 14223542) has the molecular formula C12H18S3 and a molecular weight of 258.48 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran
PubChem CID14223542
Molecular FormulaC12H18S3
Molecular Weight258.48 g/mol
Exact Mass258.06
IUPAC Name3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran
SMILESC1=CSCC(CSCC2CC=CSC2)C1
InChIInChI=1S/C12H18S3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyFQGDZHAIBDPTEP-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran?
The IUPAC name of 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran (CID 14223542) is 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran is C1=CSCC(CSCC2CC=CSC2)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran?
The InChIKey is FQGDZHAIBDPTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-2,5-6,11-12H,3-4,7-10H2.
What are the key properties of 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran?
3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran has a molecular weight of 258.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 14223542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).