N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate

C6H10N2OS4-2 — CID 86736993

IUPACN-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-]
InChIInChI=1S/C6H12N2OS4/c10-5(11)7-1-3-9-4-2-8-6(12)13/h1-4H2,(H2,7,10,11)(H2,8,12,13)/p-2
InChIKeyKFXGRQVRUOPMII-UHFFFAOYSA-L
MW254.43 g/mol
LogP-0.15
Rot. Bonds6

About N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate

N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (PubChem CID 86736993) has the molecular formula C6H10N2OS4-2 and a molecular weight of 254.43 g/mol. Its IUPAC name is N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.

Molecular Properties

Compound NameN-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
PubChem CID86736993
Molecular FormulaC6H10N2OS4-2
Molecular Weight254.43 g/mol
Exact Mass253.97
IUPAC NameN-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-]
InChIInChI=1S/C6H12N2OS4/c10-5(11)7-1-3-9-4-2-8-6(12)13/h1-4H2,(H2,7,10,11)(H2,8,12,13)/p-2
InChIKeyKFXGRQVRUOPMII-UHFFFAOYSA-L
XLogP-0.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.43
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze N-[2-[2-(sulfidocarbothioylamino)ethoxy]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

2-ethoxyethylcarbamothioylsulfanyl N-(2-ethoxyethyl)carbamodithioate
CID 168679312
Bis(2-methoxyathylthiocarbamoyl)-disulfid
CID 129629798
azanium N-(2-ethenoxyethyl)carbamodithioate
CID 134871653
2-Ethoxyethylcarbamodithioic acid
CID 17977456
2-Methoxyethylcarbamodithioic acid
CID 17977460
N-(2-ethoxyethyl)methanethioamide
CID 20348166
2-Ethoxyethylthiourea
CID 22491132
sodium N-(2-methoxyethyl)carbamodithioate
CID 23704370
2-[2-(Carbamothioylamino)ethoxy]ethylthiourea
CID 56622418
Diammonium(oxydi-2,1-ethanediyl)biscarbamodithioate
CID 86736991
2-[2-(Dithiocarboxyamino)ethoxy]ethylcarbamodithioic acid
CID 86736992
zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
CID 88755374

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The IUPAC name of N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (CID 86736993) is N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.
What is the SMILES notation for N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The canonical SMILES for N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is S=C([S-])NCCOCCNC(=S)[S-].
What is the InChIKey of N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The InChIKey is KFXGRQVRUOPMII-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12N2OS4/c10-5(11)7-1-3-9-4-2-8-6(12)13/h1-4H2,(H2,7,10,11)(H2,8,12,13)/p-2.
What are the key properties of N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate has a molecular weight of 254.43 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is sourced from PubChem (CID 86736993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).