(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine

C4H8N2S — CID 138721928

IUPAC(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
SMILES[H]/N=C(C)/C(C)=N\S
InChIInChI=1S/C4H8N2S/c1-3(5)4(2)6-7/h5,7H,1-2H3/b5-3+,6-4-
InChIKeyCZAQXEBDEFAQNV-UZNMPDEFSA-N
MW116.19 g/mol
LogP1.33
Rot. Bonds1

About (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine

(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine (PubChem CID 138721928) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
PubChem CID138721928
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
SMILES[H]/N=C(C)/C(C)=N\S
InChIInChI=1S/C4H8N2S/c1-3(5)4(2)6-7/h5,7H,1-2H3/b5-3+,6-4-
InChIKeyCZAQXEBDEFAQNV-UZNMPDEFSA-N
XLogP1.33
TPSA36.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Butan-2-imine
CID 12355452
Butane-2,3-diimine
CID 15776164
Pentane-2,4-diimine
CID 22942759
Pentane-2,3-diimine
CID 57170404
(Propan-2-ylideneamino) propanimidothioate
CID 90788598
3-N-methylsulfanylbutane-2,3-diimine
CID 129072956
N-(propan-2-ylideneamino)sulfanylmethanamine
CID 134333441
N-butan-2-ylidenethiohydroxylamine
CID 140341455
Butan-2-imine;ethane
CID 142132465
Pentane-2,3,4-triimine
CID 142381690
Butane-2,3-diimine;ethane
CID 143061627
S-(butan-2-ylideneamino)thiohydroxylamine
CID 148106621

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The IUPAC name of (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine (CID 138721928) is (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine.
What is the SMILES notation for (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The canonical SMILES for (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine is [H]/N=C(C)/C(C)=N\S.
What is the InChIKey of (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The InChIKey is CZAQXEBDEFAQNV-UZNMPDEFSA-N. The full InChI is InChI=1S/C4H8N2S/c1-3(5)4(2)6-7/h5,7H,1-2H3/b5-3+,6-4-.
What are the key properties of (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine?
(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine has a molecular weight of 116.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine is sourced from PubChem (CID 138721928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).