propane;thiophene-2,3-diamine

C7H14N2S — CID 66757950

IUPACpropane;thiophene-2,3-diamine
SMILESCCC.Nc1ccsc1N
InChIInChI=1S/C4H6N2S.C3H8/c5-3-1-2-7-4(3)6;1-3-2/h1-2H,5-6H2;3H2,1-2H3
InChIKeyRYNGTAIHUHHXIA-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.33
Rot. Bonds

About propane;thiophene-2,3-diamine

propane;thiophene-2,3-diamine (PubChem CID 66757950) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is propane;thiophene-2,3-diamine.

Molecular Properties

Compound Namepropane;thiophene-2,3-diamine
PubChem CID66757950
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Namepropane;thiophene-2,3-diamine
SMILESCCC.Nc1ccsc1N
InChIInChI=1S/C4H6N2S.C3H8/c5-3-1-2-7-4(3)6;1-3-2/h1-2H,5-6H2;3H2,1-2H3
InChIKeyRYNGTAIHUHHXIA-UHFFFAOYSA-N
XLogP2.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propane;thiophene-2,3-diamine?
The IUPAC name of propane;thiophene-2,3-diamine (CID 66757950) is propane;thiophene-2,3-diamine.
What is the SMILES notation for propane;thiophene-2,3-diamine?
The canonical SMILES for propane;thiophene-2,3-diamine is CCC.Nc1ccsc1N.
What is the InChIKey of propane;thiophene-2,3-diamine?
The InChIKey is RYNGTAIHUHHXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.C3H8/c5-3-1-2-7-4(3)6;1-3-2/h1-2H,5-6H2;3H2,1-2H3.
What are the key properties of propane;thiophene-2,3-diamine?
propane;thiophene-2,3-diamine has a molecular weight of 158.27 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;thiophene-2,3-diamine is sourced from PubChem (CID 66757950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).