[2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate

C12H23NOS3Sn — CID 70261674

IUPAC[2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate
SMILESCC(N)c1occc1[Sn+3].CC[S-].CC[S-].CC[S-]
InChIInChI=1S/C6H8NO.3C2H6S.Sn/c1-5(7)6-3-2-4-8-6;3*1-2-3;/h2,4-5H,7H2,1H3;3*3H,2H2,1H3;/q;;;;+3/p-3
InChIKeyDSLCXPBLANRQCT-UHFFFAOYSA-K
MW412.23 g/mol
LogP1.75
Rot. Bonds1

About [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate

[2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate (PubChem CID 70261674) has the molecular formula C12H23NOS3Sn and a molecular weight of 412.23 g/mol. Its IUPAC name is [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate.

Molecular Properties

Compound Name[2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate
PubChem CID70261674
Molecular FormulaC12H23NOS3Sn
Molecular Weight412.23 g/mol
Exact Mass413.00
IUPAC Name[2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate
SMILESCC(N)c1occc1[Sn+3].CC[S-].CC[S-].CC[S-]
InChIInChI=1S/C6H8NO.3C2H6S.Sn/c1-5(7)6-3-2-4-8-6;3*1-2-3;/h2,4-5H,7H2,1H3;3*3H,2H2,1H3;/q;;;;+3/p-3
InChIKeyDSLCXPBLANRQCT-UHFFFAOYSA-K
XLogP1.75
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate
CID 173288500
1-[3-[2-[chloro(ethoxy)stannyl]ethyl]furan-2-yl]ethanamine
CID 173288338
1-(3-fluorofuran-2-yl)propan-1-amine
CID 130000890
CID 173288142
CID 173288142
2-butan-2-yl-3-methylfuran
CID 89080868
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile
CID 131470005
3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
CID 106889652
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
CID 63942655
ethyl 2-(3-bromofuran-2-yl)propanoate
CID 101398465

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate?
The IUPAC name of [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate (CID 70261674) is [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate.
What is the SMILES notation for [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate?
The canonical SMILES for [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate is CC(N)c1occc1[Sn+3].CC[S-].CC[S-].CC[S-].
What is the InChIKey of [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate?
The InChIKey is DSLCXPBLANRQCT-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8NO.3C2H6S.Sn/c1-5(7)6-3-2-4-8-6;3*1-2-3;/h2,4-5H,7H2,1H3;3*3H,2H2,1H3;/q;;;;+3/p-3.
What are the key properties of [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate?
[2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate has a molecular weight of 412.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate is sourced from PubChem (CID 70261674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).