dichloro-methyl-sulfanylphosphanium

CH4Cl2PS+ — CID 88580697

IUPACdichloro-methyl-sulfanylphosphanium
SMILESC[P+](S)(Cl)Cl
InChIInChI=1S/CH4Cl2PS/c1-4(2,3)5/h5H,1H3/q+1
InChIKeyRIJYJTMXGORDHJ-UHFFFAOYSA-N
MW149.99 g/mol
LogP2.79
Rot. Bonds

About dichloro-methyl-sulfanylphosphanium

dichloro-methyl-sulfanylphosphanium (PubChem CID 88580697) has the molecular formula CH4Cl2PS+ and a molecular weight of 149.99 g/mol. Its IUPAC name is dichloro-methyl-sulfanylphosphanium.

Molecular Properties

Compound Namedichloro-methyl-sulfanylphosphanium
PubChem CID88580697
Molecular FormulaCH4Cl2PS+
Molecular Weight149.99 g/mol
Exact Mass148.91
IUPAC Namedichloro-methyl-sulfanylphosphanium
SMILESC[P+](S)(Cl)Cl
InChIInChI=1S/CH4Cl2PS/c1-4(2,3)5/h5H,1H3/q+1
InChIKeyRIJYJTMXGORDHJ-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.99
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

chloro(trimethyl)phosphanium
CID 15830224
1-chloro-2-sulfanylpropan-1-ol
CID 91498092
magnesium;2-chloropropane;dichloride
CID 158508799
CID 118356908
CID 118356908
lithium;magnesium;2-chloropropane;trichloride
CID 175456910
(1R)-1-bromo-1-chloroethane
CID 96570687
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
bromo-chloro-dimethylphosphanium
CID 23415191
3-chloro-2-sulfanylbutanoic acid
CID 91193887
2,4-dichloro-3-methylpentane
CID 89169064
chloroform;propan-2-ol
CID 173195035
alumane;1,1-dichloro-2-methylpropane
CID 173060987

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-sulfanylphosphanium?
The IUPAC name of dichloro-methyl-sulfanylphosphanium (CID 88580697) is dichloro-methyl-sulfanylphosphanium.
What is the SMILES notation for dichloro-methyl-sulfanylphosphanium?
The canonical SMILES for dichloro-methyl-sulfanylphosphanium is C[P+](S)(Cl)Cl.
What is the InChIKey of dichloro-methyl-sulfanylphosphanium?
The InChIKey is RIJYJTMXGORDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4Cl2PS/c1-4(2,3)5/h5H,1H3/q+1.
What are the key properties of dichloro-methyl-sulfanylphosphanium?
dichloro-methyl-sulfanylphosphanium has a molecular weight of 149.99 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-sulfanylphosphanium is sourced from PubChem (CID 88580697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).