CID 5483603

C8H18PS2 — CID 5483603

IUPAC—
SMILESCC(C)CP([S])(=S)CC(C)C
InChIInChI=1S/C8H18PS2/c1-7(2)5-9(10,11)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyJSKQPDJVENHJTD-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.89
Rot. Bonds4

About CID 5483603

CID 5483603 (PubChem CID 5483603) has the molecular formula C8H18PS2 and a molecular weight of 209.34 g/mol.

Molecular Properties

Compound NameCID 5483603
PubChem CID5483603
Molecular FormulaC8H18PS2
Molecular Weight209.34 g/mol
Exact Mass209.06
IUPAC Name—
SMILESCC(C)CP([S])(=S)CC(C)C
InChIInChI=1S/C8H18PS2/c1-7(2)5-9(10,11)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyJSKQPDJVENHJTD-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 5483603?
The IUPAC name of CID 5483603 (CID 5483603) is not available.
What is the SMILES notation for CID 5483603?
The canonical SMILES for CID 5483603 is CC(C)CP([S])(=S)CC(C)C.
What is the InChIKey of CID 5483603?
The InChIKey is JSKQPDJVENHJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18PS2/c1-7(2)5-9(10,11)6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of CID 5483603?
CID 5483603 has a molecular weight of 209.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5483603 is sourced from PubChem (CID 5483603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).