tert-butylsulfinylazanide

C4H10NOS- — CID 123757712

IUPACtert-butylsulfinylazanide
SMILESCC(C)(C)S([NH-])=O
InChIInChI=1S/C4H10NOS/c1-4(2,3)7(5)6/h5H,1-3H3/q-1
InChIKeyBAJVAVKHMOLPGU-UHFFFAOYSA-N
MW120.20 g/mol
LogP1.50
Rot. Bonds

About tert-butylsulfinylazanide

tert-butylsulfinylazanide (PubChem CID 123757712) has the molecular formula C4H10NOS- and a molecular weight of 120.20 g/mol. Its IUPAC name is tert-butylsulfinylazanide.

Molecular Properties

Compound Nametert-butylsulfinylazanide
PubChem CID123757712
Molecular FormulaC4H10NOS-
Molecular Weight120.20 g/mol
Exact Mass120.05
IUPAC Nametert-butylsulfinylazanide
SMILESCC(C)(C)S([NH-])=O
InChIInChI=1S/C4H10NOS/c1-4(2,3)7(5)6/h5H,1-3H3/q-1
InChIKeyBAJVAVKHMOLPGU-UHFFFAOYSA-N
XLogP1.50
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfinylazanide?
The IUPAC name of tert-butylsulfinylazanide (CID 123757712) is tert-butylsulfinylazanide.
What is the SMILES notation for tert-butylsulfinylazanide?
The canonical SMILES for tert-butylsulfinylazanide is CC(C)(C)S([NH-])=O.
What is the InChIKey of tert-butylsulfinylazanide?
The InChIKey is BAJVAVKHMOLPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NOS/c1-4(2,3)7(5)6/h5H,1-3H3/q-1.
What are the key properties of tert-butylsulfinylazanide?
tert-butylsulfinylazanide has a molecular weight of 120.20 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfinylazanide is sourced from PubChem (CID 123757712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).