bis(sulfanylidene)molybdenum;carbamothioic S-acid

CH3MoNOS3 — CID 158463415

IUPACbis(sulfanylidene)molybdenum;carbamothioic S-acid
SMILESNC(=O)S.S=[Mo]=S
InChIInChI=1S/CH3NOS.Mo.2S/c2-1(3)4;;;/h(H3,2,3,4);;;
InChIKeyWRYZAKJWWMRQKF-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.29
Rot. Bonds

About bis(sulfanylidene)molybdenum;carbamothioic S-acid

bis(sulfanylidene)molybdenum;carbamothioic S-acid (PubChem CID 158463415) has the molecular formula CH3MoNOS3 and a molecular weight of 237.18 g/mol. Its IUPAC name is bis(sulfanylidene)molybdenum;carbamothioic S-acid.

Molecular Properties

Compound Namebis(sulfanylidene)molybdenum;carbamothioic S-acid
PubChem CID158463415
Molecular FormulaCH3MoNOS3
Molecular Weight237.18 g/mol
Exact Mass238.84
IUPAC Namebis(sulfanylidene)molybdenum;carbamothioic S-acid
SMILESNC(=O)S.S=[Mo]=S
InChIInChI=1S/CH3NOS.Mo.2S/c2-1(3)4;;;/h(H3,2,3,4);;;
InChIKeyWRYZAKJWWMRQKF-UHFFFAOYSA-N
XLogP1.29
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(sulfanylidene)molybdenum;carbamothioic S-acid 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 bis(sulfanylidene)molybdenum;carbamothioic S-acid?
The IUPAC name of bis(sulfanylidene)molybdenum;carbamothioic S-acid (CID 158463415) is bis(sulfanylidene)molybdenum;carbamothioic S-acid.
What is the SMILES notation for bis(sulfanylidene)molybdenum;carbamothioic S-acid?
The canonical SMILES for bis(sulfanylidene)molybdenum;carbamothioic S-acid is NC(=O)S.S=[Mo]=S.
What is the InChIKey of bis(sulfanylidene)molybdenum;carbamothioic S-acid?
The InChIKey is WRYZAKJWWMRQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NOS.Mo.2S/c2-1(3)4;;;/h(H3,2,3,4);;;.
What are the key properties of bis(sulfanylidene)molybdenum;carbamothioic S-acid?
bis(sulfanylidene)molybdenum;carbamothioic S-acid has a molecular weight of 237.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanylidene)molybdenum;carbamothioic S-acid is sourced from PubChem (CID 158463415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).