2-methylsulfanylethenamine

C3H7NS — CID 152747843

IUPAC2-methylsulfanylethenamine
SMILESCSC=CN
InChIInChI=1S/C3H7NS/c1-5-3-2-4/h2-3H,4H2,1H3
InChIKeyMDQPQJDTFNBCHO-UHFFFAOYSA-N
MW89.16 g/mol
LogP0.78
Rot. Bonds1

About 2-methylsulfanylethenamine

2-methylsulfanylethenamine (PubChem CID 152747843) has the molecular formula C3H7NS and a molecular weight of 89.16 g/mol. Its IUPAC name is 2-methylsulfanylethenamine.

Molecular Properties

Compound Name2-methylsulfanylethenamine
PubChem CID152747843
Molecular FormulaC3H7NS
Molecular Weight89.16 g/mol
Exact Mass89.03
IUPAC Name2-methylsulfanylethenamine
SMILESCSC=CN
InChIInChI=1S/C3H7NS/c1-5-3-2-4/h2-3H,4H2,1H3
InChIKeyMDQPQJDTFNBCHO-UHFFFAOYSA-N
XLogP0.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethenamine?
The IUPAC name of 2-methylsulfanylethenamine (CID 152747843) is 2-methylsulfanylethenamine.
What is the SMILES notation for 2-methylsulfanylethenamine?
The canonical SMILES for 2-methylsulfanylethenamine is CSC=CN.
What is the InChIKey of 2-methylsulfanylethenamine?
The InChIKey is MDQPQJDTFNBCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS/c1-5-3-2-4/h2-3H,4H2,1H3.
What are the key properties of 2-methylsulfanylethenamine?
2-methylsulfanylethenamine has a molecular weight of 89.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethenamine is sourced from PubChem (CID 152747843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).