S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese

C11H23MnNOS — CID 88818458

IUPACS-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
SMILESCCSC(=O)N(CC(C)C)CC(C)C.[Mn]
InChIInChI=1S/C11H23NOS.Mn/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;/h9-10H,6-8H2,1-5H3;
InChIKeyORHRSLGGKPCMFU-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.47
Rot. Bonds5

About S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese

S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese (PubChem CID 88818458) has the molecular formula C11H23MnNOS and a molecular weight of 272.32 g/mol. Its IUPAC name is S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese.

Molecular Properties

Compound NameS-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
PubChem CID88818458
Molecular FormulaC11H23MnNOS
Molecular Weight272.32 g/mol
Exact Mass272.09
IUPAC NameS-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
SMILESCCSC(=O)N(CC(C)C)CC(C)C.[Mn]
InChIInChI=1S/C11H23NOS.Mn/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;/h9-10H,6-8H2,1-5H3;
InChIKeyORHRSLGGKPCMFU-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese?
The IUPAC name of S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese (CID 88818458) is S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese.
What is the SMILES notation for S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese?
The canonical SMILES for S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese is CCSC(=O)N(CC(C)C)CC(C)C.[Mn].
What is the InChIKey of S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese?
The InChIKey is ORHRSLGGKPCMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS.Mn/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;/h9-10H,6-8H2,1-5H3;.
What are the key properties of S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese?
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese has a molecular weight of 272.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese is sourced from PubChem (CID 88818458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).