CID 118438636

C4H10PS- — CID 118438636

IUPAC—
SMILESCCC[S-](C)#P
InChIInChI=1S/C4H10PS/c1-3-4-6(2)5/h3-4H2,1-2H3/q-1
InChIKeyVOSAWURDBNNRQO-UHFFFAOYSA-N
MW121.16 g/mol
LogP1.97
Rot. Bonds1

About CID 118438636

CID 118438636 (PubChem CID 118438636) has the molecular formula C4H10PS- and a molecular weight of 121.16 g/mol.

Molecular Properties

Compound NameCID 118438636
PubChem CID118438636
Molecular FormulaC4H10PS-
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name—
SMILESCCC[S-](C)#P
InChIInChI=1S/C4H10PS/c1-3-4-6(2)5/h3-4H2,1-2H3/q-1
InChIKeyVOSAWURDBNNRQO-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 118438636?
The IUPAC name of CID 118438636 (CID 118438636) is not available.
What is the SMILES notation for CID 118438636?
The canonical SMILES for CID 118438636 is CCC[S-](C)#P.
What is the InChIKey of CID 118438636?
The InChIKey is VOSAWURDBNNRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10PS/c1-3-4-6(2)5/h3-4H2,1-2H3/q-1.
What are the key properties of CID 118438636?
CID 118438636 has a molecular weight of 121.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118438636 is sourced from PubChem (CID 118438636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).