CID 174610830

CH4FNOSSi — CID 174610830

IUPAC—
SMILESF.NC(=O)S.[Si]
InChIInChI=1S/CH3NOS.FH.Si/c2-1(3)4;;/h(H3,2,3,4);1H;
InChIKeyXNPUNPVLNUKFFV-UHFFFAOYSA-N
MW125.20 g/mol
LogP-0.23
Rot. Bonds

About CID 174610830

CID 174610830 (PubChem CID 174610830) has the molecular formula CH4FNOSSi and a molecular weight of 125.20 g/mol.

Molecular Properties

Compound NameCID 174610830
PubChem CID174610830
Molecular FormulaCH4FNOSSi
Molecular Weight125.20 g/mol
Exact Mass124.98
IUPAC Name—
SMILESF.NC(=O)S.[Si]
InChIInChI=1S/CH3NOS.FH.Si/c2-1(3)4;;/h(H3,2,3,4);1H;
InChIKeyXNPUNPVLNUKFFV-UHFFFAOYSA-N
XLogP-0.23
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174610830 with MolForge

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

Launch Full Analysis

Related Compounds

CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
bis(carbamothioic S-acid);hydrazine
CID 175156320
azane;carbamothioic S-acid
CID 12743068
bis(carbamothioic S-acid);iron;methane
CID 173052593
dipotassium;carbamothioic S-acid;hydride
CID 174982540
bis(carbamothioic S-acid);methanethiol
CID 173288560
acetamide;carbamothioic S-acid
CID 160740835
bis(sulfanylidene)molybdenum;carbamothioic S-acid
CID 158463415
sodium;bis(carbamothioic S-acid);ethane;hydride
CID 173033677
bis(carbamothioic S-acid);copper;sulfuric acid
CID 173391644
azane;bis(carbamothioic S-acid);ethane-1,2-diamine
CID 174596244

Frequently Asked Questions

What is the IUPAC name of CID 174610830?
The IUPAC name of CID 174610830 (CID 174610830) is not available.
What is the SMILES notation for CID 174610830?
The canonical SMILES for CID 174610830 is F.NC(=O)S.[Si].
What is the InChIKey of CID 174610830?
The InChIKey is XNPUNPVLNUKFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NOS.FH.Si/c2-1(3)4;;/h(H3,2,3,4);1H;.
What are the key properties of CID 174610830?
CID 174610830 has a molecular weight of 125.20 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174610830 is sourced from PubChem (CID 174610830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).