(2-methylpropylamino) thiohypofluorite

C4H10FNS — CID 156509508

IUPAC(2-methylpropylamino) thiohypofluorite
SMILESCC(C)CNSF
InChIInChI=1S/C4H10FNS/c1-4(2)3-6-7-5/h4,6H,3H2,1-2H3
InChIKeyZFBOIFRADQZYDU-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.76
Rot. Bonds3

About (2-methylpropylamino) thiohypofluorite

(2-methylpropylamino) thiohypofluorite (PubChem CID 156509508) has the molecular formula C4H10FNS and a molecular weight of 123.20 g/mol. Its IUPAC name is (2-methylpropylamino) thiohypofluorite.

Molecular Properties

Compound Name(2-methylpropylamino) thiohypofluorite
PubChem CID156509508
Molecular FormulaC4H10FNS
Molecular Weight123.20 g/mol
Exact Mass123.05
IUPAC Name(2-methylpropylamino) thiohypofluorite
SMILESCC(C)CNSF
InChIInChI=1S/C4H10FNS/c1-4(2)3-6-7-5/h4,6H,3H2,1-2H3
InChIKeyZFBOIFRADQZYDU-UHFFFAOYSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-mercapto-propylamine
CID 89379721
N-(2-methylpropyl)sulfamoyl fluoride
CID 54068001
(2-Methylbutylamino) thiohypofluorite
CID 169903469
2-Methylpropan-1-amine;hydrofluoride
CID 19956607
2-Methylpropan-1-amine;sulfane
CID 88707827
N-(disulfanyl)-2-methylpropan-1-amine
CID 134400145
S-(2-methylpropylamino)thiohydroxylamine
CID 146226287
2-methyl-N-(methylaminosulfanyl)propan-1-amine
CID 156492430
N-(aminosulfinimidoyl)-2-methylpropan-1-amine
CID 176610726

Frequently Asked Questions

What is the IUPAC name of (2-methylpropylamino) thiohypofluorite?
The IUPAC name of (2-methylpropylamino) thiohypofluorite (CID 156509508) is (2-methylpropylamino) thiohypofluorite.
What is the SMILES notation for (2-methylpropylamino) thiohypofluorite?
The canonical SMILES for (2-methylpropylamino) thiohypofluorite is CC(C)CNSF.
What is the InChIKey of (2-methylpropylamino) thiohypofluorite?
The InChIKey is ZFBOIFRADQZYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNS/c1-4(2)3-6-7-5/h4,6H,3H2,1-2H3.
What are the key properties of (2-methylpropylamino) thiohypofluorite?
(2-methylpropylamino) thiohypofluorite has a molecular weight of 123.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropylamino) thiohypofluorite is sourced from PubChem (CID 156509508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).