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

C6H14N2S — CID 176658688

IUPACethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
SMILESCC.[H]/N=C(C)/C(C)=N\S
InChIInChI=1S/C4H8N2S.C2H6/c1-3(5)4(2)6-7;1-2/h5,7H,1-2H3;1-2H3/b5-3+,6-4-;
InChIKeyMPZRUYUZRJFTOS-LGCFFMJUSA-N
MW146.26 g/mol
LogP2.36
Rot. Bonds1

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

ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine (PubChem CID 176658688) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine.

Molecular Properties

Compound Nameethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
PubChem CID176658688
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Nameethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
SMILESCC.[H]/N=C(C)/C(C)=N\S
InChIInChI=1S/C4H8N2S.C2H6/c1-3(5)4(2)6-7;1-2/h5,7H,1-2H3;1-2H3/b5-3+,6-4-;
InChIKeyMPZRUYUZRJFTOS-LGCFFMJUSA-N
XLogP2.36
TPSA36.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 52.36
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
(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
CID 138721928
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

Frequently Asked Questions

What is the IUPAC name of ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The IUPAC name of ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine (CID 176658688) is ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine.
What is the SMILES notation for ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The canonical SMILES for ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine is CC.[H]/N=C(C)/C(C)=N\S.
What is the InChIKey of ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The InChIKey is MPZRUYUZRJFTOS-LGCFFMJUSA-N. The full InChI is InChI=1S/C4H8N2S.C2H6/c1-3(5)4(2)6-7;1-2/h5,7H,1-2H3;1-2H3/b5-3+,6-4-;.
What are the key properties of ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine?
ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine has a molecular weight of 146.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine is sourced from PubChem (CID 176658688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).