1-(4-methylpent-3-en-2-ylideneamino)ethenethiol

C8H13NS — CID 173477358

IUPAC1-(4-methylpent-3-en-2-ylideneamino)ethenethiol
SMILESC=C(S)N=C(C)C=C(C)C
InChIInChI=1S/C8H13NS/c1-6(2)5-7(3)9-8(4)10/h5,10H,4H2,1-3H3
InChIKeyVGOUXFRIYRGJDV-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.81
Rot. Bonds2

About 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol

1-(4-methylpent-3-en-2-ylideneamino)ethenethiol (PubChem CID 173477358) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol.

Molecular Properties

Compound Name1-(4-methylpent-3-en-2-ylideneamino)ethenethiol
PubChem CID173477358
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-(4-methylpent-3-en-2-ylideneamino)ethenethiol
SMILESC=C(S)N=C(C)C=C(C)C
InChIInChI=1S/C8H13NS/c1-6(2)5-7(3)9-8(4)10/h5,10H,4H2,1-3H3
InChIKeyVGOUXFRIYRGJDV-UHFFFAOYSA-N
XLogP2.81
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol?
The IUPAC name of 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol (CID 173477358) is 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol.
What is the SMILES notation for 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol?
The canonical SMILES for 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol is C=C(S)N=C(C)C=C(C)C.
What is the InChIKey of 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol?
The InChIKey is VGOUXFRIYRGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)5-7(3)9-8(4)10/h5,10H,4H2,1-3H3.
What are the key properties of 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol?
1-(4-methylpent-3-en-2-ylideneamino)ethenethiol has a molecular weight of 155.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-3-en-2-ylideneamino)ethenethiol is sourced from PubChem (CID 173477358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).