carbamothioic S-acid;hafnium

CH3HfNOS — CID 89401322

IUPACcarbamothioic S-acid;hafnium
SMILESNC(=O)S.[Hf]
InChIInChI=1S/CH3NOS.Hf/c2-1(3)4;/h(H3,2,3,4);
InChIKeyBDXZCJZKNKLQIU-UHFFFAOYSA-N
MW255.60 g/mol
LogP-0.01
Rot. Bonds

About carbamothioic S-acid;hafnium

carbamothioic S-acid;hafnium (PubChem CID 89401322) has the molecular formula CH3HfNOS and a molecular weight of 255.60 g/mol. Its IUPAC name is carbamothioic S-acid;hafnium.

Molecular Properties

Compound Namecarbamothioic S-acid;hafnium
PubChem CID89401322
Molecular FormulaCH3HfNOS
Molecular Weight255.60 g/mol
Exact Mass256.94
IUPAC Namecarbamothioic S-acid;hafnium
SMILESNC(=O)S.[Hf]
InChIInChI=1S/CH3NOS.Hf/c2-1(3)4;/h(H3,2,3,4);
InChIKeyBDXZCJZKNKLQIU-UHFFFAOYSA-N
XLogP-0.01
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.60
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamothioic S-acid;hafnium?
The IUPAC name of carbamothioic S-acid;hafnium (CID 89401322) is carbamothioic S-acid;hafnium.
What is the SMILES notation for carbamothioic S-acid;hafnium?
The canonical SMILES for carbamothioic S-acid;hafnium is NC(=O)S.[Hf].
What is the InChIKey of carbamothioic S-acid;hafnium?
The InChIKey is BDXZCJZKNKLQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NOS.Hf/c2-1(3)4;/h(H3,2,3,4);.
What are the key properties of carbamothioic S-acid;hafnium?
carbamothioic S-acid;hafnium has a molecular weight of 255.60 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioic S-acid;hafnium is sourced from PubChem (CID 89401322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).