3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one

C13H16OS2 — CID 114978270

IUPAC3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one
SMILESO=C(CCC1CC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H16OS2/c14-11(4-3-9-1-2-9)13-7-10-8-15-6-5-12(10)16-13/h7,9H,1-6,8H2
InChIKeyQNPRCMDPDSXKOM-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.91
Rot. Bonds4

About 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one

3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one (PubChem CID 114978270) has the molecular formula C13H16OS2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one
PubChem CID114978270
Molecular FormulaC13H16OS2
Molecular Weight252.40 g/mol
Exact Mass252.06
IUPAC Name3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one
SMILESO=C(CCC1CC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H16OS2/c14-11(4-3-9-1-2-9)13-7-10-8-15-6-5-12(10)16-13/h7,9H,1-6,8H2
InChIKeyQNPRCMDPDSXKOM-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one (CID 114978270) is 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one is O=C(CCC1CC1)c1cc2c(s1)CCSC2.
What is the InChIKey of 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one?
The InChIKey is QNPRCMDPDSXKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS2/c14-11(4-3-9-1-2-9)13-7-10-8-15-6-5-12(10)16-13/h7,9H,1-6,8H2.
What are the key properties of 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one?
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one has a molecular weight of 252.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one is sourced from PubChem (CID 114978270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).