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

C12H18S3 — CID 14223541

IUPAC2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran
SMILESC1=CSC(CSCC2CCC=CS2)CC1
InChIInChI=1S/C12H18S3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2
InChIKeyUJCKNSNEDNZVCE-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.54
Rot. Bonds4

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

2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran (PubChem CID 14223541) has the molecular formula C12H18S3 and a molecular weight of 258.48 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran
PubChem CID14223541
Molecular FormulaC12H18S3
Molecular Weight258.48 g/mol
Exact Mass258.06
IUPAC Name2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran
SMILESC1=CSC(CSCC2CCC=CS2)CC1
InChIInChI=1S/C12H18S3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2
InChIKeyUJCKNSNEDNZVCE-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran?
The IUPAC name of 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran (CID 14223541) is 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran is C1=CSC(CSCC2CCC=CS2)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran?
The InChIKey is UJCKNSNEDNZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2.
What are the key properties of 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran?
2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran has a molecular weight of 258.48 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiopyran-2-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 14223541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).