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

C7H16N2S4 — CID 159595824

IUPACmethane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
SMILESC.CSC(=S)NCCNC(=S)SC
InChIInChI=1S/C6H12N2S4.CH4/c1-11-5(9)7-3-4-8-6(10)12-2;/h3-4H2,1-2H3,(H,7,9)(H,8,10);1H4
InChIKeyMKVBRRKBJIFWEB-UHFFFAOYSA-N
MW256.49 g/mol
LogP2.10
Rot. Bonds3

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

methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate (PubChem CID 159595824) has the molecular formula C7H16N2S4 and a molecular weight of 256.49 g/mol. Its IUPAC name is methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate.

Molecular Properties

Compound Namemethane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
PubChem CID159595824
Molecular FormulaC7H16N2S4
Molecular Weight256.49 g/mol
Exact Mass256.02
IUPAC Namemethane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
SMILESC.CSC(=S)NCCNC(=S)SC
InChIInChI=1S/C6H12N2S4.CH4/c1-11-5(9)7-3-4-8-6(10)12-2;/h3-4H2,1-2H3,(H,7,9)(H,8,10);1H4
InChIKeyMKVBRRKBJIFWEB-UHFFFAOYSA-N
XLogP2.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The IUPAC name of methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate (CID 159595824) is methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate.
What is the SMILES notation for methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The canonical SMILES for methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate is C.CSC(=S)NCCNC(=S)SC.
What is the InChIKey of methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The InChIKey is MKVBRRKBJIFWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S4.CH4/c1-11-5(9)7-3-4-8-6(10)12-2;/h3-4H2,1-2H3,(H,7,9)(H,8,10);1H4.
What are the key properties of methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate has a molecular weight of 256.49 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate is sourced from PubChem (CID 159595824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).