2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol

C15H41N3S4 — CID 161337452

IUPAC2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol
SMILESCCCS.CCN(CC)CCS.CN(C)CCS.NCCS
InChIInChI=1S/C6H15NS.C4H11NS.C3H8S.C2H7NS/c1-3-7(4-2)5-6-8;1-5(2)3-4-6;1-2-3-4;3-1-2-4/h8H,3-6H2,1-2H3;6H,3-4H2,1-2H3;4H,2-3H2,1H3;4H,1-3H2
InChIKeyVMFMKOXDEDTOBI-UHFFFAOYSA-N
MW391.78 g/mol
LogP2.94
Rot. Bonds8

About 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol

2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol (PubChem CID 161337452) has the molecular formula C15H41N3S4 and a molecular weight of 391.78 g/mol. Its IUPAC name is 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol.

Molecular Properties

Compound Name2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol
PubChem CID161337452
Molecular FormulaC15H41N3S4
Molecular Weight391.78 g/mol
Exact Mass391.22
IUPAC Name2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol
SMILESCCCS.CCN(CC)CCS.CN(C)CCS.NCCS
InChIInChI=1S/C6H15NS.C4H11NS.C3H8S.C2H7NS/c1-3-7(4-2)5-6-8;1-5(2)3-4-6;1-2-3-4;3-1-2-4/h8H,3-6H2,1-2H3;6H,3-4H2,1-2H3;4H,2-3H2,1H3;4H,1-3H2
InChIKeyVMFMKOXDEDTOBI-UHFFFAOYSA-N
XLogP2.94
TPSA32.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.78
LogP ≤ 52.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Ethanethiol, 1-[bis(3-aminopropyl)amino]-
CID 19757883
2-[2-[2-(2-Aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
CID 20813436
4-[4-Aminobutyl(4-sulfanylbutyl)amino]butane-1-thiol
CID 87063719
3-[3-Aminopropyl(3-sulfanylpropyl)amino]propane-1-thiol
CID 87063863
3-[3-(Dimethylamino)propyldisulfanyl]propan-1-amine
CID 90163474
3-Aminopropyl-dimethyl-(3-sulfanylpropyl)azanium
CID 134569789
ethane;N-[2-[2-[methyl(propyl)amino]ethyldisulfanyl]ethyl]propan-1-amine
CID 156869007
Carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium
CID 159807452
2-(2-aminoethyldisulfanyl)ethanamine;2-(methylamino)ethanethiol;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine
CID 160147886
2-(2-aminoethyldisulfanyl)ethanamine;2-(butyldisulfanyl)-N-methylethanamine;2-(methylamino)ethanethiol
CID 161037672
2-(Diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol
CID 161234762
2-[2-(Methylamino)ethylsulfanyl]ethanethiol;2-[2-[methyl-[2-(2-sulfanylethylsulfanyl)ethyl]amino]ethylsulfanyl]ethanethiol
CID 161765395

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol?
The IUPAC name of 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol (CID 161337452) is 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol.
What is the SMILES notation for 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol?
The canonical SMILES for 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol is CCCS.CCN(CC)CCS.CN(C)CCS.NCCS.
What is the InChIKey of 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol?
The InChIKey is VMFMKOXDEDTOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.C4H11NS.C3H8S.C2H7NS/c1-3-7(4-2)5-6-8;1-5(2)3-4-6;1-2-3-4;3-1-2-4/h8H,3-6H2,1-2H3;6H,3-4H2,1-2H3;4H,2-3H2,1H3;4H,1-3H2.
What are the key properties of 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol?
2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol has a molecular weight of 391.78 g/mol, XLogP of 2.94, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;2-(diethylamino)ethanethiol;2-(dimethylamino)ethanethiol;propane-1-thiol is sourced from PubChem (CID 161337452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).