magnesium;ethylidenecarbamodithioic acid;hydride

C3H7MgNS2 — CID 174615628

IUPACmagnesium;ethylidenecarbamodithioic acid;hydride
SMILESCC=NC(=S)S.[H-].[H-].[Mg+2]
InChIInChI=1S/C3H5NS2.Mg.2H/c1-2-4-3(5)6;;;/h2H,1H3,(H,5,6);;;/q;+2;2*-1
InChIKeyKHLSEUASOJAPEE-UHFFFAOYSA-N
MW145.54 g/mol
LogP1.14
Rot. Bonds

About magnesium;ethylidenecarbamodithioic acid;hydride

magnesium;ethylidenecarbamodithioic acid;hydride (PubChem CID 174615628) has the molecular formula C3H7MgNS2 and a molecular weight of 145.54 g/mol. Its IUPAC name is magnesium;ethylidenecarbamodithioic acid;hydride.

Molecular Properties

Compound Namemagnesium;ethylidenecarbamodithioic acid;hydride
PubChem CID174615628
Molecular FormulaC3H7MgNS2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC Namemagnesium;ethylidenecarbamodithioic acid;hydride
SMILESCC=NC(=S)S.[H-].[H-].[Mg+2]
InChIInChI=1S/C3H5NS2.Mg.2H/c1-2-4-3(5)6;;;/h2H,1H3,(H,5,6);;;/q;+2;2*-1
InChIKeyKHLSEUASOJAPEE-UHFFFAOYSA-N
XLogP1.14
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium;amino N-ethylidenecarbamodithioate;hydride
CID 175022401
N-ethylideneacetamide
CID 21338179
(Z)-2-methylbut-2-enedithioic acid
CID 18646136
(3-amino-3-oxopropylidene)carbamodithioic acid
CID 141048341
(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
CID 141038532
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
CID 89207277
N-ethylidene-N'-methylethanimidamide
CID 58796711
sodium;(ethylideneamino) carbamodithioate;hydride
CID 175024199
acetic acid;1,1-diamino-3-ethylideneurea
CID 175316946
N-[(3E)-hexa-1,3-dien-2-yl]ethanimine
CID 148865556
sodium;carbamodithioic acid;hydride
CID 173103786
N-ethylidenehydroxylamine
CID 157067638

Frequently Asked Questions

What is the IUPAC name of magnesium;ethylidenecarbamodithioic acid;hydride?
The IUPAC name of magnesium;ethylidenecarbamodithioic acid;hydride (CID 174615628) is magnesium;ethylidenecarbamodithioic acid;hydride.
What is the SMILES notation for magnesium;ethylidenecarbamodithioic acid;hydride?
The canonical SMILES for magnesium;ethylidenecarbamodithioic acid;hydride is CC=NC(=S)S.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;ethylidenecarbamodithioic acid;hydride?
The InChIKey is KHLSEUASOJAPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NS2.Mg.2H/c1-2-4-3(5)6;;;/h2H,1H3,(H,5,6);;;/q;+2;2*-1.
What are the key properties of magnesium;ethylidenecarbamodithioic acid;hydride?
magnesium;ethylidenecarbamodithioic acid;hydride has a molecular weight of 145.54 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethylidenecarbamodithioic acid;hydride is sourced from PubChem (CID 174615628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).