(E)-2-(5-methylthiophen-2-yl)ethenamine

C7H9NS — CID 145487686

IUPAC(E)-2-(5-methylthiophen-2-yl)ethenamine
SMILESCc1ccc(/C=C/N)s1
InChIInChI=1S/C7H9NS/c1-6-2-3-7(9-6)4-5-8/h2-5H,8H2,1H3/b5-4+
InChIKeyMXSLNNGXMQLNAY-SNAWJCMRSA-N
MW139.22 g/mol
LogP1.99
Rot. Bonds1

About (E)-2-(5-methylthiophen-2-yl)ethenamine

(E)-2-(5-methylthiophen-2-yl)ethenamine (PubChem CID 145487686) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (E)-2-(5-methylthiophen-2-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(5-methylthiophen-2-yl)ethenamine
PubChem CID145487686
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(E)-2-(5-methylthiophen-2-yl)ethenamine
SMILESCc1ccc(/C=C/N)s1
InChIInChI=1S/C7H9NS/c1-6-2-3-7(9-6)4-5-8/h2-5H,8H2,1H3/b5-4+
InChIKeyMXSLNNGXMQLNAY-SNAWJCMRSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-methylthiophen-2-yl)ethenamine?
The IUPAC name of (E)-2-(5-methylthiophen-2-yl)ethenamine (CID 145487686) is (E)-2-(5-methylthiophen-2-yl)ethenamine.
What is the SMILES notation for (E)-2-(5-methylthiophen-2-yl)ethenamine?
The canonical SMILES for (E)-2-(5-methylthiophen-2-yl)ethenamine is Cc1ccc(/C=C/N)s1.
What is the InChIKey of (E)-2-(5-methylthiophen-2-yl)ethenamine?
The InChIKey is MXSLNNGXMQLNAY-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H9NS/c1-6-2-3-7(9-6)4-5-8/h2-5H,8H2,1H3/b5-4+.
What are the key properties of (E)-2-(5-methylthiophen-2-yl)ethenamine?
(E)-2-(5-methylthiophen-2-yl)ethenamine has a molecular weight of 139.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(5-methylthiophen-2-yl)ethenamine is sourced from PubChem (CID 145487686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).