magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium

C11H25MgNOSTi — CID 173386535

IUPACmagnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium
SMILESCCSC(=O)N(CC(C)C)CC(C)C.[H-].[H-].[Mg+2].[Ti]
InChIInChI=1S/C11H23NOS.Mg.Ti.2H/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;;;;/h9-10H,6-8H2,1-5H3;;;;/q;+2;;2*-1
InChIKeyOIZBKWUKJAARSF-UHFFFAOYSA-N
MW291.57 g/mol
LogP3.32
Rot. Bonds5

About magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium

magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium (PubChem CID 173386535) has the molecular formula C11H25MgNOSTi and a molecular weight of 291.57 g/mol. Its IUPAC name is magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium.

Molecular Properties

Compound Namemagnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium
PubChem CID173386535
Molecular FormulaC11H25MgNOSTi
Molecular Weight291.57 g/mol
Exact Mass291.10
IUPAC Namemagnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium
SMILESCCSC(=O)N(CC(C)C)CC(C)C.[H-].[H-].[Mg+2].[Ti]
InChIInChI=1S/C11H23NOS.Mg.Ti.2H/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;;;;/h9-10H,6-8H2,1-5H3;;;;/q;+2;;2*-1
InChIKeyOIZBKWUKJAARSF-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-ethyl N,N-bis(2-methylpropyl)carbamothioate;titanium
CID 87157632
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
CID 88818458
ethene;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
CID 87296608
2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
CID 87080557
carbamothioic S-acid;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;S-ethyl N,N-dipropylcarbamothioate
CID 88676434
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;2-hydroxyethyl acetate
CID 139485074
2-acetyloxyethyl acetate;ethane-1,2-diol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
CID 87080572
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
S-ethyl N-(2-hydroxypropyl)-N-propylcarbamothioate
CID 71370940
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
bis(N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline);bis(S-ethyl N,N-bis(2-methylpropyl)carbamothioate)
CID 173367920

Frequently Asked Questions

What is the IUPAC name of magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium?
The IUPAC name of magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium (CID 173386535) is magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium.
What is the SMILES notation for magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium?
The canonical SMILES for magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium is CCSC(=O)N(CC(C)C)CC(C)C.[H-].[H-].[Mg+2].[Ti].
What is the InChIKey of magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium?
The InChIKey is OIZBKWUKJAARSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS.Mg.Ti.2H/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;;;;/h9-10H,6-8H2,1-5H3;;;;/q;+2;;2*-1.
What are the key properties of magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium?
magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium has a molecular weight of 291.57 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium is sourced from PubChem (CID 173386535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).