(Z)-3-ethylsulfanylbut-2-en-2-amine

C6H13NS — CID 137400576

IUPAC(Z)-3-ethylsulfanylbut-2-en-2-amine
SMILESCCS/C(C)=C(/C)N
InChIInChI=1S/C6H13NS/c1-4-8-6(3)5(2)7/h4,7H2,1-3H3/b6-5-
InChIKeyICEMULNASQBLJA-WAYWQWQTSA-N
MW131.24 g/mol
LogP1.95
Rot. Bonds2

About (Z)-3-ethylsulfanylbut-2-en-2-amine

(Z)-3-ethylsulfanylbut-2-en-2-amine (PubChem CID 137400576) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (Z)-3-ethylsulfanylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-ethylsulfanylbut-2-en-2-amine
PubChem CID137400576
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(Z)-3-ethylsulfanylbut-2-en-2-amine
SMILESCCS/C(C)=C(/C)N
InChIInChI=1S/C6H13NS/c1-4-8-6(3)5(2)7/h4,7H2,1-3H3/b6-5-
InChIKeyICEMULNASQBLJA-WAYWQWQTSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-ethylsulfanyl-N-methylbut-2-en-2-amine
CID 144564528
[amino(ethylsulfanyl)methylidene]azanium
CID 5048191
S-ethyl carbamothioate
CID 12673087
[amino(ethylsulfanyl)methylidene]-methylazanium
CID 101002214
S-ethyl (Z)-4-oxopent-2-enethioate
CID 13162587
3-methylhept-2-en-2-amine
CID 87258436
(3E)-4-chloro-2-ethylsulfanylpenta-1,3-diene
CID 142053852
2-aminopent-2-en-3-ol
CID 151656039
ethane;(Z)-2-ethylsulfanylpent-2-ene
CID 143358355
S-ethyl 3-oxobutanethioate
CID 538325
ethyl N'-hexylcarbamimidothioate
CID 154136436
S-ethyl (Z)-3-amino-3-methoxyprop-2-enethioate
CID 88837286

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethylsulfanylbut-2-en-2-amine?
The IUPAC name of (Z)-3-ethylsulfanylbut-2-en-2-amine (CID 137400576) is (Z)-3-ethylsulfanylbut-2-en-2-amine.
What is the SMILES notation for (Z)-3-ethylsulfanylbut-2-en-2-amine?
The canonical SMILES for (Z)-3-ethylsulfanylbut-2-en-2-amine is CCS/C(C)=C(/C)N.
What is the InChIKey of (Z)-3-ethylsulfanylbut-2-en-2-amine?
The InChIKey is ICEMULNASQBLJA-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-8-6(3)5(2)7/h4,7H2,1-3H3/b6-5-.
What are the key properties of (Z)-3-ethylsulfanylbut-2-en-2-amine?
(Z)-3-ethylsulfanylbut-2-en-2-amine has a molecular weight of 131.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylsulfanylbut-2-en-2-amine is sourced from PubChem (CID 137400576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).