N-ethylethanamine;manganese(2+);dicarbamodithioate

C6H15MnN3S4 — CID 158567550

IUPACN-ethylethanamine;manganese(2+);dicarbamodithioate
SMILESCCNCC.NC(=S)[S-].NC(=S)[S-].[Mn+2]
InChIInChI=1S/C4H11N.2CH3NS2.Mn/c1-3-5-4-2;2*2-1(3)4;/h5H,3-4H2,1-2H3;2*(H3,2,3,4);/q;;;+2/p-2
InChIKeyHRRAVYONWVULRD-UHFFFAOYSA-L
MW312.41 g/mol
LogP0.17
Rot. Bonds2

About N-ethylethanamine;manganese(2+);dicarbamodithioate

N-ethylethanamine;manganese(2+);dicarbamodithioate (PubChem CID 158567550) has the molecular formula C6H15MnN3S4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-ethylethanamine;manganese(2+);dicarbamodithioate.

Molecular Properties

Compound NameN-ethylethanamine;manganese(2+);dicarbamodithioate
PubChem CID158567550
Molecular FormulaC6H15MnN3S4
Molecular Weight312.41 g/mol
Exact Mass311.95
IUPAC NameN-ethylethanamine;manganese(2+);dicarbamodithioate
SMILESCCNCC.NC(=S)[S-].NC(=S)[S-].[Mn+2]
InChIInChI=1S/C4H11N.2CH3NS2.Mn/c1-3-5-4-2;2*2-1(3)4;/h5H,3-4H2,1-2H3;2*(H3,2,3,4);/q;;;+2/p-2
InChIKeyHRRAVYONWVULRD-UHFFFAOYSA-L
XLogP0.17
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
O-(ethylaminomethyl) carbamothioate
CID 174615487
sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate
CID 175814248
sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174630751
N-ethylethanamine;propanamide
CID 172821181
carbamodithioic acid;2-(ethylamino)ethanol
CID 174237242
cerium;N-ethylethanamine
CID 174691303
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;yttrium
CID 174702634
N-ethylethanamine;λ2-plumbane
CID 174566138
bis(molybdenum(4+)) dicarbamodithioate
CID 158550318
molybdenum carbamodithioate
CID 141150740

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;manganese(2+);dicarbamodithioate?
The IUPAC name of N-ethylethanamine;manganese(2+);dicarbamodithioate (CID 158567550) is N-ethylethanamine;manganese(2+);dicarbamodithioate.
What is the SMILES notation for N-ethylethanamine;manganese(2+);dicarbamodithioate?
The canonical SMILES for N-ethylethanamine;manganese(2+);dicarbamodithioate is CCNCC.NC(=S)[S-].NC(=S)[S-].[Mn+2].
What is the InChIKey of N-ethylethanamine;manganese(2+);dicarbamodithioate?
The InChIKey is HRRAVYONWVULRD-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11N.2CH3NS2.Mn/c1-3-5-4-2;2*2-1(3)4;/h5H,3-4H2,1-2H3;2*(H3,2,3,4);/q;;;+2/p-2.
What are the key properties of N-ethylethanamine;manganese(2+);dicarbamodithioate?
N-ethylethanamine;manganese(2+);dicarbamodithioate has a molecular weight of 312.41 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;manganese(2+);dicarbamodithioate is sourced from PubChem (CID 158567550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).