S-(2-methylpropylamino)thiohydroxylamine

C4H12N2S — CID 146226287

IUPACS-(2-methylpropylamino)thiohydroxylamine
SMILESCC(C)CNSN
InChIInChI=1S/C4H12N2S/c1-4(2)3-6-7-5/h4,6H,3,5H2,1-2H3
InChIKeyPXDFIZXVSHRMQU-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.75
Rot. Bonds3

About S-(2-methylpropylamino)thiohydroxylamine

S-(2-methylpropylamino)thiohydroxylamine (PubChem CID 146226287) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is S-(2-methylpropylamino)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-methylpropylamino)thiohydroxylamine
PubChem CID146226287
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC NameS-(2-methylpropylamino)thiohydroxylamine
SMILESCC(C)CNSN
InChIInChI=1S/C4H12N2S/c1-4(2)3-6-7-5/h4,6H,3,5H2,1-2H3
InChIKeyPXDFIZXVSHRMQU-UHFFFAOYSA-N
XLogP0.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(2-methylpropylamino)thiohydroxylamine?
The IUPAC name of S-(2-methylpropylamino)thiohydroxylamine (CID 146226287) is S-(2-methylpropylamino)thiohydroxylamine.
What is the SMILES notation for S-(2-methylpropylamino)thiohydroxylamine?
The canonical SMILES for S-(2-methylpropylamino)thiohydroxylamine is CC(C)CNSN.
What is the InChIKey of S-(2-methylpropylamino)thiohydroxylamine?
The InChIKey is PXDFIZXVSHRMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-4(2)3-6-7-5/h4,6H,3,5H2,1-2H3.
What are the key properties of S-(2-methylpropylamino)thiohydroxylamine?
S-(2-methylpropylamino)thiohydroxylamine has a molecular weight of 120.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-methylpropylamino)thiohydroxylamine is sourced from PubChem (CID 146226287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).