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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethylaminomethyl N-[2-(dimethylaminomethylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 3706625
2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate
CID 45058867
ethyl N-(2-aminoethyl)carbamodithioate
CID 88159825
2-[bis(methylsulfanyl)carbamothioylsulfanylcarbothioylamino]ethylcarbamothioyl N,N-bis(methylsulfanyl)carbamodithioate
CID 88173675
propyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 89718811
methyl N-[1-(ethylsulfanylcarbothioylamino)propan-2-yl]carbamodithioate
CID 117617559
2-(Ethylsulfanylcarbothioylamino)ethylcarbamodithioic acid
CID 153794308
2-(Dithiocarboxyamino)ethylcarbamodithioic acid;propyl carbamodithioate
CID 157928812
methane;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 159595824
bis(N-(2-methylsulfanylethyl)carbamodithioate);nickel(2+)
CID 160280957
N-[2-(butan-2-ylsulfanylcarbothioylamino)ethyl]carbamodithioate;manganese(2+);propane
CID 163445761
ethyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;sulfane
CID 174620485

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).