2-amino-1,1,2-trideuterioethanethiol

C2H7NS — CID 164755940

IUPAC2-amino-1,1,2-trideuterioethanethiol
SMILES[2H]C(N)C([2H])([2H])S
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/i1D,2D2
InChIKeyUFULAYFCSOUIOV-APAIHEESSA-N
MW80.17 g/mol
LogP-0.13
Rot. Bonds1

About 2-amino-1,1,2-trideuterioethanethiol

2-amino-1,1,2-trideuterioethanethiol (PubChem CID 164755940) has the molecular formula C2H7NS and a molecular weight of 80.17 g/mol. Its IUPAC name is 2-amino-1,1,2-trideuterioethanethiol.

Molecular Properties

Compound Name2-amino-1,1,2-trideuterioethanethiol
PubChem CID164755940
Molecular FormulaC2H7NS
Molecular Weight80.17 g/mol
Exact Mass80.05
IUPAC Name2-amino-1,1,2-trideuterioethanethiol
SMILES[2H]C(N)C([2H])([2H])S
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/i1D,2D2
InChIKeyUFULAYFCSOUIOV-APAIHEESSA-N
XLogP-0.13
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59386535
CID 59386535
(1R)-1-deuteriobutane-1,4-diamine
CID 136917319
bis(2-aminoethanethiol);nickel(2+)
CID 19773887
2-chloro-2,2-dideuterioethanamine
CID 10534652
2-amino-2,2-dideuterioethanol
CID 13000292
2-deuteriopropan-1-amine
CID 164969480
(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid
CID 171381617
3-amino-3-deuteriopropanoic acid
CID 11829360
2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
CID 76974623
2-aminoethanethiol;dichloromethane
CID 174817239
[bis(aminomethyl)amino]methanethiol
CID 87063631
(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid
CID 159995067

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1,2-trideuterioethanethiol?
The IUPAC name of 2-amino-1,1,2-trideuterioethanethiol (CID 164755940) is 2-amino-1,1,2-trideuterioethanethiol.
What is the SMILES notation for 2-amino-1,1,2-trideuterioethanethiol?
The canonical SMILES for 2-amino-1,1,2-trideuterioethanethiol is [2H]C(N)C([2H])([2H])S.
What is the InChIKey of 2-amino-1,1,2-trideuterioethanethiol?
The InChIKey is UFULAYFCSOUIOV-APAIHEESSA-N. The full InChI is InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/i1D,2D2.
What are the key properties of 2-amino-1,1,2-trideuterioethanethiol?
2-amino-1,1,2-trideuterioethanethiol has a molecular weight of 80.17 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,2-trideuterioethanethiol is sourced from PubChem (CID 164755940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).