copper;2-hydroxyethyl carbamodithioate

C3H7CuNOS2 — CID 160591055

IUPACcopper;2-hydroxyethyl carbamodithioate
SMILESNC(=S)SCCO.[Cu]
InChIInChI=1S/C3H7NOS2.Cu/c4-3(6)7-2-1-5;/h5H,1-2H2,(H2,4,6);
InChIKeyRDAFNPNILXHDAQ-UHFFFAOYSA-N
MW200.77 g/mol
LogP-0.05
Rot. Bonds2

About copper;2-hydroxyethyl carbamodithioate

copper;2-hydroxyethyl carbamodithioate (PubChem CID 160591055) has the molecular formula C3H7CuNOS2 and a molecular weight of 200.77 g/mol. Its IUPAC name is copper;2-hydroxyethyl carbamodithioate.

Molecular Properties

Compound Namecopper;2-hydroxyethyl carbamodithioate
PubChem CID160591055
Molecular FormulaC3H7CuNOS2
Molecular Weight200.77 g/mol
Exact Mass199.93
IUPAC Namecopper;2-hydroxyethyl carbamodithioate
SMILESNC(=S)SCCO.[Cu]
InChIInChI=1S/C3H7NOS2.Cu/c4-3(6)7-2-1-5;/h5H,1-2H2,(H2,4,6);
InChIKeyRDAFNPNILXHDAQ-UHFFFAOYSA-N
XLogP-0.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.77
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-carbamothioylsulfanylbutyl carbamodithioate;copper
CID 87342350
2-carbamothioylsulfanylethyl carbamodithioate;ethene
CID 157163681
bis(2-hydroxyethylsulfanyl)methanethione
CID 19835604
CID 158814138
CID 158814138
methanol;propyl carbamodithioate
CID 174248667
magnesium;hydride;propyl carbamodithioate
CID 174927157
3-oxopropyl carbamodithioate
CID 55290322
CID 159121999
CID 159121999
heptyl carbamodithioate
CID 3738854
sodium;hydride;octyl carbamodithioate
CID 175140209
(3-oxo-3-pyrrolidin-1-ylpropyl) carbamodithioate
CID 5138290
azane;[bis(2-hydroxyethyl)amino] carbamodithioate
CID 174562447

Frequently Asked Questions

What is the IUPAC name of copper;2-hydroxyethyl carbamodithioate?
The IUPAC name of copper;2-hydroxyethyl carbamodithioate (CID 160591055) is copper;2-hydroxyethyl carbamodithioate.
What is the SMILES notation for copper;2-hydroxyethyl carbamodithioate?
The canonical SMILES for copper;2-hydroxyethyl carbamodithioate is NC(=S)SCCO.[Cu].
What is the InChIKey of copper;2-hydroxyethyl carbamodithioate?
The InChIKey is RDAFNPNILXHDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS2.Cu/c4-3(6)7-2-1-5;/h5H,1-2H2,(H2,4,6);.
What are the key properties of copper;2-hydroxyethyl carbamodithioate?
copper;2-hydroxyethyl carbamodithioate has a molecular weight of 200.77 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-hydroxyethyl carbamodithioate is sourced from PubChem (CID 160591055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).