2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol

C15H18OS2 — CID 15305231

IUPAC2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol
SMILESOC1(c2ccccc2)CCCC1=C1SCCCS1
InChIInChI=1S/C15H18OS2/c16-15(12-6-2-1-3-7-12)9-4-8-13(15)14-17-10-5-11-18-14/h1-3,6-7,16H,4-5,8-11H2
InChIKeyYNSQQMDOIIHTJY-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.14
Rot. Bonds1

About 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol

2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol (PubChem CID 15305231) has the molecular formula C15H18OS2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol
PubChem CID15305231
Molecular FormulaC15H18OS2
Molecular Weight278.44 g/mol
Exact Mass278.08
IUPAC Name2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol
SMILESOC1(c2ccccc2)CCCC1=C1SCCCS1
InChIInChI=1S/C15H18OS2/c16-15(12-6-2-1-3-7-12)9-4-8-13(15)14-17-10-5-11-18-14/h1-3,6-7,16H,4-5,8-11H2
InChIKeyYNSQQMDOIIHTJY-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol?
The IUPAC name of 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol (CID 15305231) is 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol.
What is the SMILES notation for 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol?
The canonical SMILES for 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol is OC1(c2ccccc2)CCCC1=C1SCCCS1.
What is the InChIKey of 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol?
The InChIKey is YNSQQMDOIIHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS2/c16-15(12-6-2-1-3-7-12)9-4-8-13(15)14-17-10-5-11-18-14/h1-3,6-7,16H,4-5,8-11H2.
What are the key properties of 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol?
2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol is sourced from PubChem (CID 15305231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).