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

C14H30N4S8 — CID 71750713

IUPACmethane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
SMILESC.CCSC(=S)NCCNC(=S)SC.CSC(=S)NCCNC(=S)SC
InChIInChI=1S/C7H14N2S4.C6H12N2S4.CH4/c1-3-13-7(11)9-5-4-8-6(10)12-2;1-11-5(9)7-3-4-8-6(10)12-2;/h3-5H2,1-2H3,(H,8,10)(H,9,11);3-4H2,1-2H3,(H,7,9)(H,8,10);1H4
InChIKeyNNEKVWZSRSUNFI-UHFFFAOYSA-N
MW510.96 g/mol
LogP3.95
Rot. Bonds7

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

methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate (PubChem CID 71750713) has the molecular formula C14H30N4S8 and a molecular weight of 510.96 g/mol. Its IUPAC name is methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate.

Molecular Properties

Compound Namemethane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
PubChem CID71750713
Molecular FormulaC14H30N4S8
Molecular Weight510.96 g/mol
Exact Mass510.02
IUPAC Namemethane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
SMILESC.CCSC(=S)NCCNC(=S)SC.CSC(=S)NCCNC(=S)SC
InChIInChI=1S/C7H14N2S4.C6H12N2S4.CH4/c1-3-13-7(11)9-5-4-8-6(10)12-2;1-11-5(9)7-3-4-8-6(10)12-2;/h3-5H2,1-2H3,(H,8,10)(H,9,11);3-4H2,1-2H3,(H,7,9)(H,8,10);1H4
InChIKeyNNEKVWZSRSUNFI-UHFFFAOYSA-N
XLogP3.95
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.96
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The IUPAC name of methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate (CID 71750713) is methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate.
What is the SMILES notation for methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The canonical SMILES for methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate is C.CCSC(=S)NCCNC(=S)SC.CSC(=S)NCCNC(=S)SC.
What is the InChIKey of methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
The InChIKey is NNEKVWZSRSUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S4.C6H12N2S4.CH4/c1-3-13-7(11)9-5-4-8-6(10)12-2;1-11-5(9)7-3-4-8-6(10)12-2;/h3-5H2,1-2H3,(H,8,10)(H,9,11);3-4H2,1-2H3,(H,7,9)(H,8,10);1H4.
What are the key properties of methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate?
methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate has a molecular weight of 510.96 g/mol, XLogP of 3.95, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate is sourced from PubChem (CID 71750713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).