amino(oxo)methanesulfinate;toluene

C8H10NO3S- — CID 174496429

IUPACamino(oxo)methanesulfinate;toluene
SMILESCc1ccccc1.NC(=O)S(=O)[O-]
InChIInChI=1S/C7H8.CH3NO3S/c1-7-5-3-2-4-6-7;2-1(3)6(4)5/h2-6H,1H3;(H2,2,3)(H,4,5)/p-1
InChIKeyRCWKSPMGRURSFS-UHFFFAOYSA-M
MW200.24 g/mol
LogP0.94
Rot. Bonds

About amino(oxo)methanesulfinate;toluene

amino(oxo)methanesulfinate;toluene (PubChem CID 174496429) has the molecular formula C8H10NO3S- and a molecular weight of 200.24 g/mol. Its IUPAC name is amino(oxo)methanesulfinate;toluene.

Molecular Properties

Compound Nameamino(oxo)methanesulfinate;toluene
PubChem CID174496429
Molecular FormulaC8H10NO3S-
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Nameamino(oxo)methanesulfinate;toluene
SMILESCc1ccccc1.NC(=O)S(=O)[O-]
InChIInChI=1S/C7H8.CH3NO3S/c1-7-5-3-2-4-6-7;2-1(3)6(4)5/h2-6H,1H3;(H2,2,3)(H,4,5)/p-1
InChIKeyRCWKSPMGRURSFS-UHFFFAOYSA-M
XLogP0.94
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of amino(oxo)methanesulfinate;toluene?
The IUPAC name of amino(oxo)methanesulfinate;toluene (CID 174496429) is amino(oxo)methanesulfinate;toluene.
What is the SMILES notation for amino(oxo)methanesulfinate;toluene?
The canonical SMILES for amino(oxo)methanesulfinate;toluene is Cc1ccccc1.NC(=O)S(=O)[O-].
What is the InChIKey of amino(oxo)methanesulfinate;toluene?
The InChIKey is RCWKSPMGRURSFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8.CH3NO3S/c1-7-5-3-2-4-6-7;2-1(3)6(4)5/h2-6H,1H3;(H2,2,3)(H,4,5)/p-1.
What are the key properties of amino(oxo)methanesulfinate;toluene?
amino(oxo)methanesulfinate;toluene has a molecular weight of 200.24 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(oxo)methanesulfinate;toluene is sourced from PubChem (CID 174496429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).