methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate

C6H12N2S4 — CID 2754715

IUPACmethyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
SMILESCSC(=S)NCCNC(=S)SC
InChIInChI=1S/C6H12N2S4/c1-11-5(9)7-3-4-8-6(10)12-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyKUUUDIJBRGBBNC-UHFFFAOYSA-N
MW240.44 g/mol
LogP1.46
Rot. Bonds3

About methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate

methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate (PubChem CID 2754715) has the molecular formula C6H12N2S4 and a molecular weight of 240.44 g/mol. Its IUPAC name is methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate.

Molecular Properties

Compound Namemethyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
PubChem CID2754715
Molecular FormulaC6H12N2S4
Molecular Weight240.44 g/mol
Exact Mass239.99
IUPAC Namemethyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
SMILESCSC(=S)NCCNC(=S)SC
InChIInChI=1S/C6H12N2S4/c1-11-5(9)7-3-4-8-6(10)12-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyKUUUDIJBRGBBNC-UHFFFAOYSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-methylsulfanylethyl)carbamodithioate
CID 20526585
methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 71750713
methyl N-(3-trifluorosilylpropyl)carbamodithioate
CID 174136031
methyl N-(3-methoxypropyl)carbamodithioate
CID 23324215
methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate
CID 54386052
carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate
CID 58312456
methyl N-(3-phenylpropyl)carbamodithioate
CID 14581310
potassium 5-(methylsulfanylcarbothioylamino)pentane-1-sulfonate
CID 23718527
2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane
CID 158207882
bismuthane;methyl N-methylcarbamodithioate
CID 174491363
methyl N-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]carbamodithioate
CID 155628475
CID 161382397
CID 161382397

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The IUPAC name of methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate (CID 2754715) is methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate.
What is the SMILES notation for methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The canonical SMILES for methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate is CSC(=S)NCCNC(=S)SC.
What is the InChIKey of methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The InChIKey is KUUUDIJBRGBBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S4/c1-11-5(9)7-3-4-8-6(10)12-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate has a molecular weight of 240.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate is sourced from PubChem (CID 2754715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).