N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane

C11H22MnN2S4 — CID 163445761

IUPACN-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane
SMILESCCC(C)SC(=S)NCCNC(=S)[S-].C[CH-]C.[Mn+2]
InChIInChI=1S/C8H16N2S4.C3H7.Mn/c1-3-6(2)14-8(13)10-5-4-9-7(11)12;1-3-2;/h6H,3-5H2,1-2H3,(H,10,13)(H2,9,11,12);3H,1-2H3;/q;-1;+2/p-1
InChIKeyLARKJKNGGBSZRQ-UHFFFAOYSA-M
MW365.52 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane

N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane (PubChem CID 163445761) has the molecular formula C11H22MnN2S4 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane.

Molecular Properties

Compound NameN-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane
PubChem CID163445761
Molecular FormulaC11H22MnN2S4
Molecular Weight365.52 g/mol
Exact Mass365.00
IUPAC NameN-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane
SMILESCCC(C)SC(=S)NCCNC(=S)[S-].C[CH-]C.[Mn+2]
InChIInChI=1S/C8H16N2S4.C3H7.Mn/c1-3-6(2)14-8(13)10-5-4-9-7(11)12;1-3-2;/h6H,3-5H2,1-2H3,(H,10,13)(H2,9,11,12);3H,1-2H3;/q;-1;+2/p-1
InChIKeyLARKJKNGGBSZRQ-UHFFFAOYSA-M
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane?
The IUPAC name of N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane (CID 163445761) is N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane.
What is the SMILES notation for N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane?
The canonical SMILES for N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane is CCC(C)SC(=S)NCCNC(=S)[S-].C[CH-]C.[Mn+2].
What is the InChIKey of N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane?
The InChIKey is LARKJKNGGBSZRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N2S4.C3H7.Mn/c1-3-6(2)14-8(13)10-5-4-9-7(11)12;1-3-2;/h6H,3-5H2,1-2H3,(H,10,13)(H2,9,11,12);3H,1-2H3;/q;-1;+2/p-1.
What are the key properties of N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane?
N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane has a molecular weight of 365.52 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane is sourced from PubChem (CID 163445761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).