1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine

C12H19NS2 — CID 116831553

IUPAC1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
SMILESCCSc1ccc(C(N)CCSC)cc1
InChIInChI=1S/C12H19NS2/c1-3-15-11-6-4-10(5-7-11)12(13)8-9-14-2/h4-7,12H,3,8-9,13H2,1-2H3
InChIKeyASICRBQTWOCFCD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.55
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine

1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine (PubChem CID 116831553) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
PubChem CID116831553
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
SMILESCCSc1ccc(C(N)CCSC)cc1
InChIInChI=1S/C12H19NS2/c1-3-15-11-6-4-10(5-7-11)12(13)8-9-14-2/h4-7,12H,3,8-9,13H2,1-2H3
InChIKeyASICRBQTWOCFCD-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577
1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518298
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(1R)-1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106847546
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105142670
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
1-(4-ethylsulfanylphenyl)hex-5-yn-1-amine
CID 106848699
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
CID 106848542
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine (CID 116831553) is 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine is CCSc1ccc(C(N)CCSC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is ASICRBQTWOCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-3-15-11-6-4-10(5-7-11)12(13)8-9-14-2/h4-7,12H,3,8-9,13H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine?
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 116831553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).