methyl N-(2-methylsulfanylethyl)carbamodithioate

C5H11NS3 — CID 20526585

IUPACmethyl N-(2-methylsulfanylethyl)carbamodithioate
SMILESCSCCNC(=S)SC
InChIInChI=1S/C5H11NS3/c1-8-4-3-6-5(7)9-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyCWPIIVNWPMWPEP-UHFFFAOYSA-N
MW181.35 g/mol
LogP1.59
Rot. Bonds3

About methyl N-(2-methylsulfanylethyl)carbamodithioate

methyl N-(2-methylsulfanylethyl)carbamodithioate (PubChem CID 20526585) has the molecular formula C5H11NS3 and a molecular weight of 181.35 g/mol. Its IUPAC name is methyl N-(2-methylsulfanylethyl)carbamodithioate.

Molecular Properties

Compound Namemethyl N-(2-methylsulfanylethyl)carbamodithioate
PubChem CID20526585
Molecular FormulaC5H11NS3
Molecular Weight181.35 g/mol
Exact Mass181.01
IUPAC Namemethyl N-(2-methylsulfanylethyl)carbamodithioate
SMILESCSCCNC(=S)SC
InChIInChI=1S/C5H11NS3/c1-8-4-3-6-5(7)9-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyCWPIIVNWPMWPEP-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 2754715
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
3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide
CID 63958907
methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate
CID 54386052
carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate
CID 58312456
1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
CID 115760787
O-octadecyl N-(2-methylsulfanylethyl)carbamothioate
CID 59187696
potassium 5-(methylsulfanylcarbothioylamino)pentane-1-sulfonate
CID 23718527
2-methyl-3-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63957265
7-(2-methylsulfanylethylcarbamoylamino)heptanoic acid
CID 63959937

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylsulfanylethyl)carbamodithioate?
The IUPAC name of methyl N-(2-methylsulfanylethyl)carbamodithioate (CID 20526585) is methyl N-(2-methylsulfanylethyl)carbamodithioate.
What is the SMILES notation for methyl N-(2-methylsulfanylethyl)carbamodithioate?
The canonical SMILES for methyl N-(2-methylsulfanylethyl)carbamodithioate is CSCCNC(=S)SC.
What is the InChIKey of methyl N-(2-methylsulfanylethyl)carbamodithioate?
The InChIKey is CWPIIVNWPMWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS3/c1-8-4-3-6-5(7)9-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of methyl N-(2-methylsulfanylethyl)carbamodithioate?
methyl N-(2-methylsulfanylethyl)carbamodithioate has a molecular weight of 181.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylsulfanylethyl)carbamodithioate is sourced from PubChem (CID 20526585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).