carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate

C7H13MnNS4 — CID 58312456

IUPACcarbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate
SMILESCSC(=S)NCCCC(=S)[S-].[CH3-].[Mn+2]
InChIInChI=1S/C6H11NS4.CH3.Mn/c1-11-6(10)7-4-2-3-5(8)9;;/h2-4H2,1H3,(H,7,10)(H,8,9);1H3;/q;-1;+2/p-1
InChIKeySIVBOLUMHHQBHU-UHFFFAOYSA-M
MW294.39 g/mol
LogP2.33
Rot. Bonds4

About carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate

carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate (PubChem CID 58312456) has the molecular formula C7H13MnNS4 and a molecular weight of 294.39 g/mol. Its IUPAC name is carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate.

Molecular Properties

Compound Namecarbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate
PubChem CID58312456
Molecular FormulaC7H13MnNS4
Molecular Weight294.39 g/mol
Exact Mass293.93
IUPAC Namecarbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate
SMILESCSC(=S)NCCCC(=S)[S-].[CH3-].[Mn+2]
InChIInChI=1S/C6H11NS4.CH3.Mn/c1-11-6(10)7-4-2-3-5(8)9;;/h2-4H2,1H3,(H,7,10)(H,8,9);1H3;/q;-1;+2/p-1
InChIKeySIVBOLUMHHQBHU-UHFFFAOYSA-M
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
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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Related Compounds

methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 2754715
zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
CID 161215587
methyl N-(3-trifluorosilylpropyl)carbamodithioate
CID 174136031
methyl N-(3-methoxypropyl)carbamodithioate
CID 23324215
methyl N-(2-methylsulfanylethyl)carbamodithioate
CID 20526585
methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 71750713
potassium 5-(methylsulfanylcarbothioylamino)pentane-1-sulfonate
CID 23718527
methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate
CID 54386052
methyl N-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]carbamodithioate
CID 155628475
zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
CID 12898683
zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
CID 15651749
butyl N-butylcarbamodithioate;tungsten
CID 174676976

Frequently Asked Questions

What is the IUPAC name of carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate?
The IUPAC name of carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate (CID 58312456) is carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate.
What is the SMILES notation for carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate?
The canonical SMILES for carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate is CSC(=S)NCCCC(=S)[S-].[CH3-].[Mn+2].
What is the InChIKey of carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate?
The InChIKey is SIVBOLUMHHQBHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NS4.CH3.Mn/c1-11-6(10)7-4-2-3-5(8)9;;/h2-4H2,1H3,(H,7,10)(H,8,9);1H3;/q;-1;+2/p-1.
What are the key properties of carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate?
carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate has a molecular weight of 294.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate is sourced from PubChem (CID 58312456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).