2-amino-2-sulfinylacetonitrile

C2H2N2OS — CID 55289475

IUPAC2-amino-2-sulfinylacetonitrile
SMILESN#CC(N)=S=O
InChIInChI=1S/C2H2N2OS/c3-1-2(4)6-5/h4H2
InChIKeyHCYJSCHQDPXBTG-UHFFFAOYSA-N
MW102.12 g/mol
LogP-1.19
Rot. Bonds

About 2-amino-2-sulfinylacetonitrile

2-amino-2-sulfinylacetonitrile (PubChem CID 55289475) has the molecular formula C2H2N2OS and a molecular weight of 102.12 g/mol. Its IUPAC name is 2-amino-2-sulfinylacetonitrile.

Molecular Properties

Compound Name2-amino-2-sulfinylacetonitrile
PubChem CID55289475
Molecular FormulaC2H2N2OS
Molecular Weight102.12 g/mol
Exact Mass101.99
IUPAC Name2-amino-2-sulfinylacetonitrile
SMILESN#CC(N)=S=O
InChIInChI=1S/C2H2N2OS/c3-1-2(4)6-5/h4H2
InChIKeyHCYJSCHQDPXBTG-UHFFFAOYSA-N
XLogP-1.19
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.12
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-sulfinylacetonitrile?
The IUPAC name of 2-amino-2-sulfinylacetonitrile (CID 55289475) is 2-amino-2-sulfinylacetonitrile.
What is the SMILES notation for 2-amino-2-sulfinylacetonitrile?
The canonical SMILES for 2-amino-2-sulfinylacetonitrile is N#CC(N)=S=O.
What is the InChIKey of 2-amino-2-sulfinylacetonitrile?
The InChIKey is HCYJSCHQDPXBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2OS/c3-1-2(4)6-5/h4H2.
What are the key properties of 2-amino-2-sulfinylacetonitrile?
2-amino-2-sulfinylacetonitrile has a molecular weight of 102.12 g/mol, XLogP of -1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-sulfinylacetonitrile is sourced from PubChem (CID 55289475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).