(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine

C5H9NS — CID 89383561

IUPAC(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine
SMILESC=C(C)/C(C)=N\S
InChIInChI=1S/C5H9NS/c1-4(2)5(3)6-7/h7H,1H2,2-3H3/b6-5-
InChIKeyUDPCCNNGSKYKAE-WAYWQWQTSA-N
MW115.20 g/mol
LogP1.87
Rot. Bonds1

About (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine

(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine (PubChem CID 89383561) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine
PubChem CID89383561
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine
SMILESC=C(C)/C(C)=N\S
InChIInChI=1S/C5H9NS/c1-4(2)5(3)6-7/h7H,1H2,2-3H3/b6-5-
InChIKeyUDPCCNNGSKYKAE-WAYWQWQTSA-N
XLogP1.87
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 88948516
S-(3-methylbut-3-en-2-ylideneamino)thiohydroxylamine
CID 153065209
ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 142059793
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
CID 176658688
(3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene
CID 134204253
CID 101067560
CID 101067560
2,4-dimethyl-3-methylidenepenta-1,4-diene
CID 12913413
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol
CID 123817249
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine?
The IUPAC name of (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine (CID 89383561) is (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine.
What is the SMILES notation for (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine?
The canonical SMILES for (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine is C=C(C)/C(C)=N\S.
What is the InChIKey of (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine?
The InChIKey is UDPCCNNGSKYKAE-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H9NS/c1-4(2)5(3)6-7/h7H,1H2,2-3H3/b6-5-.
What are the key properties of (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine?
(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine has a molecular weight of 115.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine is sourced from PubChem (CID 89383561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).