isocyanic acid;methanesulfonic acid;thiophene

C7H10N2O5S2 — CID 174872549

IUPACisocyanic acid;methanesulfonic acid;thiophene
SMILESCS(=O)(=O)O.N=C=O.N=C=O.c1ccsc1
InChIInChI=1S/C4H4S.2CHNO.CH4O3S/c1-2-4-5-3-1;2*2-1-3;1-5(2,3)4/h1-4H;2*2H;1H3,(H,2,3,4)
InChIKeyVBBVDACZNNVVDV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.05
Rot. Bonds

About isocyanic acid;methanesulfonic acid;thiophene

isocyanic acid;methanesulfonic acid;thiophene (PubChem CID 174872549) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is isocyanic acid;methanesulfonic acid;thiophene.

Molecular Properties

Compound Nameisocyanic acid;methanesulfonic acid;thiophene
PubChem CID174872549
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Nameisocyanic acid;methanesulfonic acid;thiophene
SMILESCS(=O)(=O)O.N=C=O.N=C=O.c1ccsc1
InChIInChI=1S/C4H4S.2CHNO.CH4O3S/c1-2-4-5-3-1;2*2-1-3;1-5(2,3)4/h1-4H;2*2H;1H3,(H,2,3,4)
InChIKeyVBBVDACZNNVVDV-UHFFFAOYSA-N
XLogP1.05
TPSA136.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze isocyanic acid;methanesulfonic acid;thiophene 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

sulfoformic acid;thiophene
CID 159730608
methanesulfonic acid;quinoline;thiophene
CID 174658970
isocyanic acid;sulfurofluoridic acid
CID 175003090
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
CID 87129852
CID 87129852
methanesulfonic acid;hydrate
CID 87278985
phosphane;thiophene
CID 162184194
methanesulfonic acid;stibane
CID 173129060
hydron;methanesulfonic acid
CID 19767432
iridium;thiophene
CID 175937556
methane;methanesulfonic acid
CID 87535456

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;methanesulfonic acid;thiophene?
The IUPAC name of isocyanic acid;methanesulfonic acid;thiophene (CID 174872549) is isocyanic acid;methanesulfonic acid;thiophene.
What is the SMILES notation for isocyanic acid;methanesulfonic acid;thiophene?
The canonical SMILES for isocyanic acid;methanesulfonic acid;thiophene is CS(=O)(=O)O.N=C=O.N=C=O.c1ccsc1.
What is the InChIKey of isocyanic acid;methanesulfonic acid;thiophene?
The InChIKey is VBBVDACZNNVVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.2CHNO.CH4O3S/c1-2-4-5-3-1;2*2-1-3;1-5(2,3)4/h1-4H;2*2H;1H3,(H,2,3,4).
What are the key properties of isocyanic acid;methanesulfonic acid;thiophene?
isocyanic acid;methanesulfonic acid;thiophene has a molecular weight of 266.30 g/mol, XLogP of 1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methanesulfonic acid;thiophene is sourced from PubChem (CID 174872549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).