[(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene

C18H18S2 — CID 102010830

IUPAC[(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene
SMILESC(\Sc1ccccc1)=C1/CCCC1Sc1ccccc1
InChIInChI=1S/C18H18S2/c1-3-9-16(10-4-1)19-14-15-8-7-13-18(15)20-17-11-5-2-6-12-17/h1-6,9-12,14,18H,7-8,13H2/b15-14-
InChIKeyIHIHNCKBOFVVNO-PFONDFGASA-N
MW298.48 g/mol
LogP6.01
Rot. Bonds4

About [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene

[(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene (PubChem CID 102010830) has the molecular formula C18H18S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene
PubChem CID102010830
Molecular FormulaC18H18S2
Molecular Weight298.48 g/mol
Exact Mass298.08
IUPAC Name[(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene
SMILESC(\Sc1ccccc1)=C1/CCCC1Sc1ccccc1
InChIInChI=1S/C18H18S2/c1-3-9-16(10-4-1)19-14-15-8-7-13-18(15)20-17-11-5-2-6-12-17/h1-6,9-12,14,18H,7-8,13H2/b15-14-
InChIKeyIHIHNCKBOFVVNO-PFONDFGASA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene?
The IUPAC name of [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene (CID 102010830) is [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene?
The canonical SMILES for [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene is C(\Sc1ccccc1)=C1/CCCC1Sc1ccccc1.
What is the InChIKey of [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene?
The InChIKey is IHIHNCKBOFVVNO-PFONDFGASA-N. The full InChI is InChI=1S/C18H18S2/c1-3-9-16(10-4-1)19-14-15-8-7-13-18(15)20-17-11-5-2-6-12-17/h1-6,9-12,14,18H,7-8,13H2/b15-14-.
What are the key properties of [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene?
[(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene has a molecular weight of 298.48 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-phenylsulfanylcyclopentylidene)methyl]sulfanylbenzene is sourced from PubChem (CID 102010830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).