carbamothioylsulfanyl N-aminocarbamodithioate

C2H5N3S4 — CID 157365684

IUPACcarbamothioylsulfanyl N-aminocarbamodithioate
SMILESNNC(=S)SSC(N)=S
InChIInChI=1S/C2H5N3S4/c3-1(6)8-9-2(7)5-4/h4H2,(H2,3,6)(H,5,7)
InChIKeyBJDNAIMNLRDYLU-UHFFFAOYSA-N
MW199.35 g/mol
LogP0.36
Rot. Bonds

About carbamothioylsulfanyl N-aminocarbamodithioate

carbamothioylsulfanyl N-aminocarbamodithioate (PubChem CID 157365684) has the molecular formula C2H5N3S4 and a molecular weight of 199.35 g/mol. Its IUPAC name is carbamothioylsulfanyl N-aminocarbamodithioate.

Molecular Properties

Compound Namecarbamothioylsulfanyl N-aminocarbamodithioate
PubChem CID157365684
Molecular FormulaC2H5N3S4
Molecular Weight199.35 g/mol
Exact Mass198.94
IUPAC Namecarbamothioylsulfanyl N-aminocarbamodithioate
SMILESNNC(=S)SSC(N)=S
InChIInChI=1S/C2H5N3S4/c3-1(6)8-9-2(7)5-4/h4H2,(H2,3,6)(H,5,7)
InChIKeyBJDNAIMNLRDYLU-UHFFFAOYSA-N
XLogP0.36
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.35
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze carbamothioylsulfanyl N-aminocarbamodithioate 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

carbamothioylsulfanyl N-(2,3-dimethylbutan-2-yl)carbamodithioate
CID 87668781
CID 161382397
CID 161382397
2-methylpropyl N-aminocarbamodithioate
CID 55280604
carbamothioylsulfanyl pyrrolidine-1-carbodithioate
CID 10376943
carbamothioylsulfanyl carbamodithioate;1-methylpiperazine
CID 175540702
sodium 2-(aminocarbamothioylsulfanyl)acetate
CID 55281693
3-(aminocarbamothioylsulfanyl)propanoic acid
CID 12885383
aminothiourea;dichlorocadmium;hydrate
CID 174579206
azane;O-methyl carbamothioate
CID 162314519
iron;bis(O-methyl carbamothioate)
CID 87395326
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
methyl carbamodithioate;silver
CID 174849393

Frequently Asked Questions

What is the IUPAC name of carbamothioylsulfanyl N-aminocarbamodithioate?
The IUPAC name of carbamothioylsulfanyl N-aminocarbamodithioate (CID 157365684) is carbamothioylsulfanyl N-aminocarbamodithioate.
What is the SMILES notation for carbamothioylsulfanyl N-aminocarbamodithioate?
The canonical SMILES for carbamothioylsulfanyl N-aminocarbamodithioate is NNC(=S)SSC(N)=S.
What is the InChIKey of carbamothioylsulfanyl N-aminocarbamodithioate?
The InChIKey is BJDNAIMNLRDYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3S4/c3-1(6)8-9-2(7)5-4/h4H2,(H2,3,6)(H,5,7).
What are the key properties of carbamothioylsulfanyl N-aminocarbamodithioate?
carbamothioylsulfanyl N-aminocarbamodithioate has a molecular weight of 199.35 g/mol, XLogP of 0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioylsulfanyl N-aminocarbamodithioate is sourced from PubChem (CID 157365684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).