S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine

C5H10N2S — CID 153065209

IUPACS-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine
SMILESC=C(C)C(C)=NSN
InChIInChI=1S/C5H10N2S/c1-4(2)5(3)7-8-6/h1,6H2,2-3H3
InChIKeyVKFUMSKGFBKTTE-UHFFFAOYSA-N
MW130.22 g/mol
LogP1.55
Rot. Bonds2

About S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine

S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine (PubChem CID 153065209) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine.

Molecular Properties

Compound NameS-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine
PubChem CID153065209
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC NameS-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine
SMILESC=C(C)C(C)=NSN
InChIInChI=1S/C5H10N2S/c1-4(2)5(3)7-8-6/h1,6H2,2-3H3
InChIKeyVKFUMSKGFBKTTE-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine?
The IUPAC name of S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine (CID 153065209) is S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine.
What is the SMILES notation for S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine?
The canonical SMILES for S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine is C=C(C)C(C)=NSN.
What is the InChIKey of S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine?
The InChIKey is VKFUMSKGFBKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4(2)5(3)7-8-6/h1,6H2,2-3H3.
What are the key properties of S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine?
S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine has a molecular weight of 130.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine is sourced from PubChem (CID 153065209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).