2-benzhydrylidene-1,3-dithiolane 1,1-dioxide

C16H14O2S2 — CID 14085990

IUPAC2-benzhydrylidene-1,3-dithiolane 1,1-dioxide
SMILESO=S1(=O)CCSC1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O2S2/c17-20(18)12-11-19-16(20)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyMAXLCMOLEFRXSI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.57
Rot. Bonds2

About 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide

2-benzhydrylidene-1,3-dithiolane 1,1-dioxide (PubChem CID 14085990) has the molecular formula C16H14O2S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide.

Molecular Properties

Compound Name2-benzhydrylidene-1,3-dithiolane 1,1-dioxide
PubChem CID14085990
Molecular FormulaC16H14O2S2
Molecular Weight302.42 g/mol
Exact Mass302.04
IUPAC Name2-benzhydrylidene-1,3-dithiolane 1,1-dioxide
SMILESO=S1(=O)CCSC1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O2S2/c17-20(18)12-11-19-16(20)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyMAXLCMOLEFRXSI-UHFFFAOYSA-N
XLogP3.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide?
The IUPAC name of 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide (CID 14085990) is 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide.
What is the SMILES notation for 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide?
The canonical SMILES for 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide is O=S1(=O)CCSC1=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide?
The InChIKey is MAXLCMOLEFRXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S2/c17-20(18)12-11-19-16(20)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide?
2-benzhydrylidene-1,3-dithiolane 1,1-dioxide has a molecular weight of 302.42 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylidene-1,3-dithiolane 1,1-dioxide is sourced from PubChem (CID 14085990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).