Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene

Name: Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₀Cl₂O₂S — CID 174892720

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACdichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene

SMILES[O-][S+](Cl)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccoc1

InChIInChI=1S/C18H16.C4H4O.Cl2OS/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;

InChIKeyPHCRCDUDLWHPOR-UHFFFAOYSA-N

MW419.37 g/mol

LogP7.19

Rot. Bonds

About Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene

Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene (PubChem CID 174892720) has the molecular formula C₂₂H₂₀Cl₂O₂S and a molecular weight of 419.37 g/mol. Its IUPAC name is dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name	Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene
PubChem CID	174892720
Molecular Formula	C₂₂H₂₀Cl₂O₂S
Molecular Weight	419.37 g/mol
Exact Mass	418.06
IUPAC Name	dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene
SMILES	[O-][S+](Cl)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccoc1
InChI	InChI=1S/C18H16.C4H4O.Cl2OS/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;
InChIKey	PHCRCDUDLWHPOR-UHFFFAOYSA-N
XLogP	7.19
TPSA	36.20 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.37
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene?

The IUPAC name of Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene (CID 174892720) is dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene.

What is the SMILES notation for Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene?

The canonical SMILES for Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene is [O-][S+](Cl)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccoc1.

What is the InChIKey of Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene?

The InChIKey is PHCRCDUDLWHPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C4H4O.Cl2OS/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;.

What are the key properties of Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene?

Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene has a molecular weight of 419.37 g/mol, XLogP of 7.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174892720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 174892720 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.