carbamothioyl-ethylidene-sulfidoazanium

C3H6N2S2 — CID 141079293

IUPACcarbamothioyl-ethylidene-sulfidoazanium
SMILESCC=[N+]([S-])C(N)=S
InChIInChI=1S/C3H6N2S2/c1-2-5(7)3(4)6/h2H,1H3,(H2,4,6)
InChIKeyGDGGVIZFVQVQGE-UHFFFAOYSA-N
MW134.23 g/mol
LogP-0.20
Rot. Bonds

About carbamothioyl-ethylidene-sulfidoazanium

carbamothioyl-ethylidene-sulfidoazanium (PubChem CID 141079293) has the molecular formula C3H6N2S2 and a molecular weight of 134.23 g/mol. Its IUPAC name is carbamothioyl-ethylidene-sulfidoazanium.

Molecular Properties

Compound Namecarbamothioyl-ethylidene-sulfidoazanium
PubChem CID141079293
Molecular FormulaC3H6N2S2
Molecular Weight134.23 g/mol
Exact Mass134.00
IUPAC Namecarbamothioyl-ethylidene-sulfidoazanium
SMILESCC=[N+]([S-])C(N)=S
InChIInChI=1S/C3H6N2S2/c1-2-5(7)3(4)6/h2H,1H3,(H2,4,6)
InChIKeyGDGGVIZFVQVQGE-UHFFFAOYSA-N
XLogP-0.20
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-Ethylidenethiourea
CID 3613496
Ethylidenethiourea
CID 9555787
Thiourea, ethylidene-
CID 5875452
(E)-ethylidenethiourea;oxozinc
CID 155670628
Ethylidenethiourea;silver
CID 173001938
Ethylidenethiourea;thiourea
CID 173326399
sodium;amino N-ethylidenecarbamodithioate;hydride
CID 175022401
Sodium;(ethylideneamino) carbamodithioate;hydride
CID 175024199
amino N-ethylidenecarbamodithioate
CID 175022402
(Ethylideneamino) carbamodithioate
CID 175024200

Frequently Asked Questions

What is the IUPAC name of carbamothioyl-ethylidene-sulfidoazanium?
The IUPAC name of carbamothioyl-ethylidene-sulfidoazanium (CID 141079293) is carbamothioyl-ethylidene-sulfidoazanium.
What is the SMILES notation for carbamothioyl-ethylidene-sulfidoazanium?
The canonical SMILES for carbamothioyl-ethylidene-sulfidoazanium is CC=[N+]([S-])C(N)=S.
What is the InChIKey of carbamothioyl-ethylidene-sulfidoazanium?
The InChIKey is GDGGVIZFVQVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2/c1-2-5(7)3(4)6/h2H,1H3,(H2,4,6).
What are the key properties of carbamothioyl-ethylidene-sulfidoazanium?
carbamothioyl-ethylidene-sulfidoazanium has a molecular weight of 134.23 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioyl-ethylidene-sulfidoazanium is sourced from PubChem (CID 141079293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).