azanium N-(2-hydroxyethyl)carbamodithioate

C3H10N2OS2 — CID 56842739

IUPACazanium N-(2-hydroxyethyl)carbamodithioate
SMILESOCCNC(=S)[S-].[NH4+]
InChIInChI=1S/C3H7NOS2.H3N/c5-2-1-4-3(6)7;/h5H,1-2H2,(H2,4,6,7);1H3
InChIKeySHACSWKUQPMRMW-UHFFFAOYSA-N
MW154.26 g/mol
LogP-0.22
Rot. Bonds2

About azanium N-(2-hydroxyethyl)carbamodithioate

azanium N-(2-hydroxyethyl)carbamodithioate (PubChem CID 56842739) has the molecular formula C3H10N2OS2 and a molecular weight of 154.26 g/mol. Its IUPAC name is azanium N-(2-hydroxyethyl)carbamodithioate.

Molecular Properties

Compound Nameazanium N-(2-hydroxyethyl)carbamodithioate
PubChem CID56842739
Molecular FormulaC3H10N2OS2
Molecular Weight154.26 g/mol
Exact Mass154.02
IUPAC Nameazanium N-(2-hydroxyethyl)carbamodithioate
SMILESOCCNC(=S)[S-].[NH4+]
InChIInChI=1S/C3H7NOS2.H3N/c5-2-1-4-3(6)7;/h5H,1-2H2,(H2,4,6,7);1H3
InChIKeySHACSWKUQPMRMW-UHFFFAOYSA-N
XLogP-0.22
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium N-(2-hydroxyethyl)carbamodithioate?
The IUPAC name of azanium N-(2-hydroxyethyl)carbamodithioate (CID 56842739) is azanium N-(2-hydroxyethyl)carbamodithioate.
What is the SMILES notation for azanium N-(2-hydroxyethyl)carbamodithioate?
The canonical SMILES for azanium N-(2-hydroxyethyl)carbamodithioate is OCCNC(=S)[S-].[NH4+].
What is the InChIKey of azanium N-(2-hydroxyethyl)carbamodithioate?
The InChIKey is SHACSWKUQPMRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS2.H3N/c5-2-1-4-3(6)7;/h5H,1-2H2,(H2,4,6,7);1H3.
What are the key properties of azanium N-(2-hydroxyethyl)carbamodithioate?
azanium N-(2-hydroxyethyl)carbamodithioate has a molecular weight of 154.26 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-(2-hydroxyethyl)carbamodithioate is sourced from PubChem (CID 56842739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).