(E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium

C7H13NS — CID 140577226

IUPAC(E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium
SMILESC/C=C(C)\C(C)=[N+](/C)[S-]
InChIInChI=1S/C7H13NS/c1-5-6(2)7(3)8(4)9/h5H,1-4H3/b6-5-,8-7+
InChIKeySQZLVMVHWNEDNA-IGTJQSIKSA-N
MW143.25 g/mol
LogP1.52
Rot. Bonds1

About (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium

(E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium (PubChem CID 140577226) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium.

Molecular Properties

Compound Name(E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium
PubChem CID140577226
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium
SMILESC/C=C(C)\C(C)=[N+](/C)[S-]
InChIInChI=1S/C7H13NS/c1-5-6(2)7(3)8(4)9/h5H,1-4H3/b6-5-,8-7+
InChIKeySQZLVMVHWNEDNA-IGTJQSIKSA-N
XLogP1.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium
CID 139212201
methyl-[(Z)-3-methylpent-3-en-2-ylidene]azanium
CID 139212202
(Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine
CID 168998747
2-fluoro-N,5-dimethylhex-4-en-3-imine
CID 172586095
N,4-dimethylpent-3-en-2-imine
CID 20725565
5-ethyl-3-methyl-2H-pyrrole
CID 20748859
4,5-dimethyl-2H-pyrrole
CID 21353924
5,6-Dimethyl-2,3-dihydropyridine
CID 57840662
(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
4-ethyl-5-methyl-2H-pyrrole
CID 59983744

Frequently Asked Questions

What is the IUPAC name of (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium?
The IUPAC name of (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium (CID 140577226) is (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium.
What is the SMILES notation for (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium?
The canonical SMILES for (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium is C/C=C(C)\C(C)=[N+](/C)[S-].
What is the InChIKey of (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium?
The InChIKey is SQZLVMVHWNEDNA-IGTJQSIKSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-6(2)7(3)8(4)9/h5H,1-4H3/b6-5-,8-7+.
What are the key properties of (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium?
(E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium has a molecular weight of 143.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-methyl-[(Z)-3-methylpent-3-en-2-ylidene]-sulfidoazanium is sourced from PubChem (CID 140577226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).