ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine

C7H15NS — CID 171648945

IUPACethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine
SMILESC=CS/C(C)=C\N.CC
InChIInChI=1S/C5H9NS.C2H6/c1-3-7-5(2)4-6;1-2/h3-4H,1,6H2,2H3;1-2H3/b5-4-;
InChIKeyAJKLMMMZIBOVTB-MKWAYWHRSA-N
MW145.27 g/mol
LogP2.71
Rot. Bonds2

About ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine

ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine (PubChem CID 171648945) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine
PubChem CID171648945
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nameethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine
SMILESC=CS/C(C)=C\N.CC
InChIInChI=1S/C5H9NS.C2H6/c1-3-7-5(2)4-6;1-2/h3-4H,1,6H2,2H3;1-2H3/b5-4-;
InChIKeyAJKLMMMZIBOVTB-MKWAYWHRSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;tris(2-methylprop-1-ene)
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CID 157325462
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
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S-ethenyl N,N-dimethylcarbamothioate
CID 71324085
(E)-3-ethenylsulfanylhex-2-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine?
The IUPAC name of ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine (CID 171648945) is ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine is C=CS/C(C)=C\N.CC.
What is the InChIKey of ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine?
The InChIKey is AJKLMMMZIBOVTB-MKWAYWHRSA-N. The full InChI is InChI=1S/C5H9NS.C2H6/c1-3-7-5(2)4-6;1-2/h3-4H,1,6H2,2H3;1-2H3/b5-4-;.
What are the key properties of ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine?
ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine is sourced from PubChem (CID 171648945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).