2-aminoethanethiolate

C2H6NS- — CID 14175586

IUPAC2-aminoethanethiolate
SMILESNCC[S-]
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p-1
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-M
MW76.14 g/mol
LogP-0.51
Rot. Bonds1

About 2-aminoethanethiolate

2-aminoethanethiolate (PubChem CID 14175586) has the molecular formula C2H6NS- and a molecular weight of 76.14 g/mol. Its IUPAC name is 2-aminoethanethiolate.

Molecular Properties

Compound Name2-aminoethanethiolate
PubChem CID14175586
Molecular FormulaC2H6NS-
Molecular Weight76.14 g/mol
Exact Mass76.02
IUPAC Name2-aminoethanethiolate
SMILESNCC[S-]
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p-1
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-M
XLogP-0.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanethiolate;yttrium
CID 162364389
zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)
CID 10937993
arsane;ethane-1,2-diamine
CID 174848098
CID 159340027
CID 159340027
ethane-1,2-diamine;hydron
CID 175410368
azane;ethane-1,2-diamine
CID 172821054
ethane-1,2-diamine;gold(3+)
CID 159014710
ethane-1,2-diamine;gallane
CID 173293297
CID 158052826
CID 158052826
zinc;ethane-1,2-diamine;sulfide
CID 162247318
tetrakis(ethane-1,2-diamine);palladium(2+);dichloride
CID 173374677
ethane-1,2-diamine;platinum;hydrochloride
CID 87835544

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiolate?
The IUPAC name of 2-aminoethanethiolate (CID 14175586) is 2-aminoethanethiolate.
What is the SMILES notation for 2-aminoethanethiolate?
The canonical SMILES for 2-aminoethanethiolate is NCC[S-].
What is the InChIKey of 2-aminoethanethiolate?
The InChIKey is UFULAYFCSOUIOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p-1.
What are the key properties of 2-aminoethanethiolate?
2-aminoethanethiolate has a molecular weight of 76.14 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiolate is sourced from PubChem (CID 14175586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).