carbonotrithioic acid;phosphane

CH11P3S3 — CID 175348280

IUPACcarbonotrithioic acid;phosphane
SMILESP.P.P.S=C(S)S
InChIInChI=1S/CH2S3.3H3P/c2-1(3)4;;;/h(H2,2,3,4);3*1H3
InChIKeyQUWRBHNFCIPVPD-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.31
Rot. Bonds

About carbonotrithioic acid;phosphane

carbonotrithioic acid;phosphane (PubChem CID 175348280) has the molecular formula CH11P3S3 and a molecular weight of 212.22 g/mol. Its IUPAC name is carbonotrithioic acid;phosphane.

Molecular Properties

Compound Namecarbonotrithioic acid;phosphane
PubChem CID175348280
Molecular FormulaCH11P3S3
Molecular Weight212.22 g/mol
Exact Mass211.92
IUPAC Namecarbonotrithioic acid;phosphane
SMILESP.P.P.S=C(S)S
InChIInChI=1S/CH2S3.3H3P/c2-1(3)4;;;/h(H2,2,3,4);3*1H3
InChIKeyQUWRBHNFCIPVPD-UHFFFAOYSA-N
XLogP1.31
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbonotrithioic acid;phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbonotrithioic acid;phosphane?
The IUPAC name of carbonotrithioic acid;phosphane (CID 175348280) is carbonotrithioic acid;phosphane.
What is the SMILES notation for carbonotrithioic acid;phosphane?
The canonical SMILES for carbonotrithioic acid;phosphane is P.P.P.S=C(S)S.
What is the InChIKey of carbonotrithioic acid;phosphane?
The InChIKey is QUWRBHNFCIPVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2S3.3H3P/c2-1(3)4;;;/h(H2,2,3,4);3*1H3.
What are the key properties of carbonotrithioic acid;phosphane?
carbonotrithioic acid;phosphane has a molecular weight of 212.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonotrithioic acid;phosphane is sourced from PubChem (CID 175348280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).