azane;2-hydroxyethylcarbamodithioic acid

C3H10N2OS2 — CID 170844330

IUPACazane;2-hydroxyethylcarbamodithioic acid
SMILESN.OCCNC(=S)S
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-0.05
Rot. Bonds2

About azane;2-hydroxyethylcarbamodithioic acid

azane;2-hydroxyethylcarbamodithioic acid (PubChem CID 170844330) has the molecular formula C3H10N2OS2 and a molecular weight of 154.26 g/mol. Its IUPAC name is azane;2-hydroxyethylcarbamodithioic acid.

Molecular Properties

Compound Nameazane;2-hydroxyethylcarbamodithioic acid
PubChem CID170844330
Molecular FormulaC3H10N2OS2
Molecular Weight154.26 g/mol
Exact Mass154.02
IUPAC Nameazane;2-hydroxyethylcarbamodithioic acid
SMILESN.OCCNC(=S)S
InChIInChI=1S/C3H7NOS2.H3N/c5-2-1-4-3(6)7;/h5H,1-2H2,(H2,4,6,7);1H3
InChIKeySHACSWKUQPMRMW-UHFFFAOYSA-N
XLogP-0.05
TPSA67.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Hydroxyethyl)thiourea
CID 3254090
N,N'-bis(2-hydroxyethyl)thioperoxydicarbamic acid
CID 3000620
(3-Amino-2-hydroxypropyl)carbonimidodithioic acid
CID 3041853
Bis[(2-hydroxyethyl)dithiocarbamato-S,S']nickel
CID 3034726
Carbamodithioic acid, (2-hydroxyethyl)-
CID 3034727
Sodium (2-hydroxyethyl)dithiocarbamate
CID 23685984
N~1~-(2-Hydroxyethyl)ethanebis(thioamide)
CID 3880839
2-Hydroxyathylammonium-2-hydroxyathyldithiocarbamat
CID 129637752
Bis((2-hydroxyethyl)dithiocarbamato-S,S')zinc
CID 56841149
Ammonium (hydroxyethyl)dithiocarbamate
CID 56842739
Zinc bis[(2-hydroxyethyl)carbamodithioate]
CID 76418767
azanium N-(1-hydroxyethyl)carbamodithioate
CID 139594607

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyethylcarbamodithioic acid?
The IUPAC name of azane;2-hydroxyethylcarbamodithioic acid (CID 170844330) is azane;2-hydroxyethylcarbamodithioic acid.
What is the SMILES notation for azane;2-hydroxyethylcarbamodithioic acid?
The canonical SMILES for azane;2-hydroxyethylcarbamodithioic acid is N.OCCNC(=S)S.
What is the InChIKey of azane;2-hydroxyethylcarbamodithioic acid?
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 azane;2-hydroxyethylcarbamodithioic acid?
azane;2-hydroxyethylcarbamodithioic acid has a molecular weight of 154.26 g/mol, XLogP of -0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyethylcarbamodithioic acid is sourced from PubChem (CID 170844330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).