(E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine

C8H11NS — CID 122432417

IUPAC(E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine
SMILESCC(C)=c1ccs/c1=C/N
InChIInChI=1S/C8H11NS/c1-6(2)7-3-4-10-8(7)5-9/h3-5H,9H2,1-2H3/b8-5+
InChIKeySOQAGWHPUPANAF-VMPITWQZSA-N
MW153.25 g/mol
LogP0.64
Rot. Bonds

About (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine

(E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine (PubChem CID 122432417) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine.

Molecular Properties

Compound Name(E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine
PubChem CID122432417
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine
SMILESCC(C)=c1ccs/c1=C/N
InChIInChI=1S/C8H11NS/c1-6(2)7-3-4-10-8(7)5-9/h3-5H,9H2,1-2H3/b8-5+
InChIKeySOQAGWHPUPANAF-VMPITWQZSA-N
XLogP0.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine?
The IUPAC name of (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine (CID 122432417) is (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine.
What is the SMILES notation for (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine?
The canonical SMILES for (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine is CC(C)=c1ccs/c1=C/N.
What is the InChIKey of (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine?
The InChIKey is SOQAGWHPUPANAF-VMPITWQZSA-N. The full InChI is InChI=1S/C8H11NS/c1-6(2)7-3-4-10-8(7)5-9/h3-5H,9H2,1-2H3/b8-5+.
What are the key properties of (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine?
(E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine has a molecular weight of 153.25 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(3-propan-2-ylidenethiophen-2-ylidene)methanamine is sourced from PubChem (CID 122432417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).