(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium

C12H9ClOPS+ — CID 163915272

IUPAC(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
SMILESS=P1([ClH+])Oc2ccccc2-c2ccccc21
InChIInChI=1S/C12H9ClOPS/c13-15(16)12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8,13H/q+1
InChIKeyQVRNZYUILOCMFQ-UHFFFAOYSA-N
MW267.70 g/mol
LogP2.96
Rot. Bonds

About (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium

(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium (PubChem CID 163915272) has the molecular formula C12H9ClOPS+ and a molecular weight of 267.70 g/mol. Its IUPAC name is (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium.

Molecular Properties

Compound Name(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
PubChem CID163915272
Molecular FormulaC12H9ClOPS+
Molecular Weight267.70 g/mol
Exact Mass266.98
IUPAC Name(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
SMILESS=P1([ClH+])Oc2ccccc2-c2ccccc21
InChIInChI=1S/C12H9ClOPS/c13-15(16)12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8,13H/q+1
InChIKeyQVRNZYUILOCMFQ-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane
CID 88764491
6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine
CID 6914045
6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine
CID 170372495
CID 157451486
CID 157451486
ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine
CID 159397412
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026
6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 174185485
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
6-(3,3-dimethylbutyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 58986432
1,3-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]urea
CID 155313188
4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 126692418

Frequently Asked Questions

What is the IUPAC name of (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium?
The IUPAC name of (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium (CID 163915272) is (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium.
What is the SMILES notation for (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium?
The canonical SMILES for (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium is S=P1([ClH+])Oc2ccccc2-c2ccccc21.
What is the InChIKey of (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium?
The InChIKey is QVRNZYUILOCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOPS/c13-15(16)12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8,13H/q+1.
What are the key properties of (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium?
(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium has a molecular weight of 267.70 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium is sourced from PubChem (CID 163915272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).