dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane

C3H7Cl2PS2 — CID 21425230

IUPACdichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCC(C)SP(=S)(Cl)Cl
InChIInChI=1S/C3H7Cl2PS2/c1-3(2)8-6(4,5)7/h3H,1-2H3
InChIKeyDDIWVROBLCQVNC-UHFFFAOYSA-N
MW209.10 g/mol
LogP3.83
Rot. Bonds2

About dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane

dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 21425230) has the molecular formula C3H7Cl2PS2 and a molecular weight of 209.10 g/mol. Its IUPAC name is dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID21425230
Molecular FormulaC3H7Cl2PS2
Molecular Weight209.10 g/mol
Exact Mass207.91
IUPAC Namedichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCC(C)SP(=S)(Cl)Cl
InChIInChI=1S/C3H7Cl2PS2/c1-3(2)8-6(4,5)7/h3H,1-2H3
InChIKeyDDIWVROBLCQVNC-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane (CID 21425230) is dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane is CC(C)SP(=S)(Cl)Cl.
What is the InChIKey of dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is DDIWVROBLCQVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2PS2/c1-3(2)8-6(4,5)7/h3H,1-2H3.
What are the key properties of dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 209.10 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21425230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).