benzene;1H-phenalene;sulfane

C19H18S — CID 174365170

IUPACbenzene;1H-phenalene;sulfane
SMILESC1=Cc2cccc3cccc(c23)C1.S.c1ccccc1
InChIInChI=1S/C13H10.C6H6.H2S/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-4-6-5-3-1;/h1-8H,9H2;1-6H;1H2
InChIKeyYSQQTNFSEQNPPV-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.21
Rot. Bonds

About benzene;1H-phenalene;sulfane

benzene;1H-phenalene;sulfane (PubChem CID 174365170) has the molecular formula C19H18S and a molecular weight of 278.42 g/mol. Its IUPAC name is benzene;1H-phenalene;sulfane.

Molecular Properties

Compound Namebenzene;1H-phenalene;sulfane
PubChem CID174365170
Molecular FormulaC19H18S
Molecular Weight278.42 g/mol
Exact Mass278.11
IUPAC Namebenzene;1H-phenalene;sulfane
SMILESC1=Cc2cccc3cccc(c23)C1.S.c1ccccc1
InChIInChI=1S/C13H10.C6H6.H2S/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-4-6-5-3-1;/h1-8H,9H2;1-6H;1H2
InChIKeyYSQQTNFSEQNPPV-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;1H-phenalene;sulfane?
The IUPAC name of benzene;1H-phenalene;sulfane (CID 174365170) is benzene;1H-phenalene;sulfane.
What is the SMILES notation for benzene;1H-phenalene;sulfane?
The canonical SMILES for benzene;1H-phenalene;sulfane is C1=Cc2cccc3cccc(c23)C1.S.c1ccccc1.
What is the InChIKey of benzene;1H-phenalene;sulfane?
The InChIKey is YSQQTNFSEQNPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C6H6.H2S/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-4-6-5-3-1;/h1-8H,9H2;1-6H;1H2.
What are the key properties of benzene;1H-phenalene;sulfane?
benzene;1H-phenalene;sulfane has a molecular weight of 278.42 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-phenalene;sulfane is sourced from PubChem (CID 174365170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).