(NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine

C6H11NS — CID 142052098

IUPAC(NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
SMILESC/C=C(C)/C(C)=N\S
InChIInChI=1S/C6H11NS/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/b5-4+,7-6-
InChIKeyLMKRCAXMBNICMD-DEQVHDEQSA-N
MW129.23 g/mol
LogP2.26
Rot. Bonds1

About (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine

(NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine (PubChem CID 142052098) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
PubChem CID142052098
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
SMILESC/C=C(C)/C(C)=N\S
InChIInChI=1S/C6H11NS/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/b5-4+,7-6-
InChIKeyLMKRCAXMBNICMD-DEQVHDEQSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.26
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

3-Methylpent-3-en-2-imine
CID 15835473
(E)-3-methylpent-3-en-2-imine
CID 22944994
4-Methylpent-3-en-2-imine
CID 23064943
(Z)-N,3-dimethylpent-3-en-2-imine
CID 58274132
(E)-N,3-dimethylpent-3-en-2-imine
CID 58796719
N,3-dimethylpent-3-en-2-imine
CID 58898687
(E)-3-methyl-N-oxidopent-3-en-2-imine
CID 59961839
5-Methylhex-4-en-3-imine
CID 91473946
(E)-3-methyl-N-oxidopent-3-en-2-imine
CID 91517493
(NZ)-N-[(Z)-3-methylpent-3-en-2-ylidene]thiohydroxylamine
CID 117768341
4-Methylhex-3-en-2-imine
CID 123364513
3-Ethylpent-3-en-2-imine
CID 123394073

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine?
The IUPAC name of (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine (CID 142052098) is (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine is C/C=C(C)/C(C)=N\S.
What is the InChIKey of (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine?
The InChIKey is LMKRCAXMBNICMD-DEQVHDEQSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/b5-4+,7-6-.
What are the key properties of (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine?
(NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine has a molecular weight of 129.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-methylpent-3-en-2-ylidene]thiohydroxylamine is sourced from PubChem (CID 142052098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).