magnesium;hydride;propyl carbamodithioate

C4H11MgNS2 — CID 174927157

IUPACmagnesium;hydride;propyl carbamodithioate
SMILESCCCSC(N)=S.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H9NS2.Mg.2H/c1-2-3-7-4(5)6;;;/h2-3H2,1H3,(H2,5,6);;;/q;+2;2*-1
InChIKeyPUPCVAOPXVLXFI-UHFFFAOYSA-N
MW161.58 g/mol
LogP1.22
Rot. Bonds2

About magnesium;hydride;propyl carbamodithioate

magnesium;hydride;propyl carbamodithioate (PubChem CID 174927157) has the molecular formula C4H11MgNS2 and a molecular weight of 161.58 g/mol. Its IUPAC name is magnesium;hydride;propyl carbamodithioate.

Molecular Properties

Compound Namemagnesium;hydride;propyl carbamodithioate
PubChem CID174927157
Molecular FormulaC4H11MgNS2
Molecular Weight161.58 g/mol
Exact Mass161.02
IUPAC Namemagnesium;hydride;propyl carbamodithioate
SMILESCCCSC(N)=S.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H9NS2.Mg.2H/c1-2-3-7-4(5)6;;;/h2-3H2,1H3,(H2,5,6);;;/q;+2;2*-1
InChIKeyPUPCVAOPXVLXFI-UHFFFAOYSA-N
XLogP1.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.58
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 158814138
CID 158814138
methanol;propyl carbamodithioate
CID 174248667
CID 159121999
CID 159121999
sodium;hydride;octyl carbamodithioate
CID 175140209
heptyl carbamodithioate
CID 3738854
2-carbamothioylsulfanylethyl carbamodithioate;ethene
CID 157163681
4-carbamothioylsulfanylbutyl carbamodithioate;copper
CID 87342350
propyl carbamodithioate;1H-pyrimidine-2,4-dione
CID 158079021
copper;2-hydroxyethyl carbamodithioate
CID 160591055
propyl N-carbamoylcarbamodithioate
CID 174741188
S-propyl carbamothioate;dihydrochloride
CID 88720488
propyl N-chlorocarbamodithioate
CID 174631169

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;propyl carbamodithioate?
The IUPAC name of magnesium;hydride;propyl carbamodithioate (CID 174927157) is magnesium;hydride;propyl carbamodithioate.
What is the SMILES notation for magnesium;hydride;propyl carbamodithioate?
The canonical SMILES for magnesium;hydride;propyl carbamodithioate is CCCSC(N)=S.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;propyl carbamodithioate?
The InChIKey is PUPCVAOPXVLXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS2.Mg.2H/c1-2-3-7-4(5)6;;;/h2-3H2,1H3,(H2,5,6);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;propyl carbamodithioate?
magnesium;hydride;propyl carbamodithioate has a molecular weight of 161.58 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;propyl carbamodithioate is sourced from PubChem (CID 174927157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).