amino(cyano)carbamodithioic acid

C2H3N3S2 — CID 57211782

IUPACamino(cyano)carbamodithioic acid
SMILESN#CN(N)C(=S)S
InChIInChI=1S/C2H3N3S2/c3-1-5(4)2(6)7/h4H2,(H,6,7)
InChIKeyKMGMQRYTKKYTNC-UHFFFAOYSA-N
MW133.20 g/mol
LogP-0.14
Rot. Bonds

About amino(cyano)carbamodithioic acid

amino(cyano)carbamodithioic acid (PubChem CID 57211782) has the molecular formula C2H3N3S2 and a molecular weight of 133.20 g/mol. Its IUPAC name is amino(cyano)carbamodithioic acid.

Molecular Properties

Compound Nameamino(cyano)carbamodithioic acid
PubChem CID57211782
Molecular FormulaC2H3N3S2
Molecular Weight133.20 g/mol
Exact Mass132.98
IUPAC Nameamino(cyano)carbamodithioic acid
SMILESN#CN(N)C(=S)S
InChIInChI=1S/C2H3N3S2/c3-1-5(4)2(6)7/h4H2,(H,6,7)
InChIKeyKMGMQRYTKKYTNC-UHFFFAOYSA-N
XLogP-0.14
TPSA53.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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'}

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Related Compounds

acetyl(amino)cyanamide
CID 6452580
dimethylcarbamodithioic acid;prop-2-enenitrile
CID 175475389
oxalonitrile;thiourea
CID 160888969
azane;diethylcarbamodithioic acid;hydrate
CID 174606289
carbamodithioic acid;carbonotrithioic acid
CID 88693688
carbamodithioic acid;indigane
CID 174684923
carbamodithioic acid;cobalt
CID 162211003
CID 172737064
CID 172737064
arsane;carbamodithioic acid
CID 174247077
CID 157375712
CID 157375712
carbamodithioic acid;selane
CID 174428895
carbamodithioic acid;hydroiodide
CID 86734769

Frequently Asked Questions

What is the IUPAC name of amino(cyano)carbamodithioic acid?
The IUPAC name of amino(cyano)carbamodithioic acid (CID 57211782) is amino(cyano)carbamodithioic acid.
What is the SMILES notation for amino(cyano)carbamodithioic acid?
The canonical SMILES for amino(cyano)carbamodithioic acid is N#CN(N)C(=S)S.
What is the InChIKey of amino(cyano)carbamodithioic acid?
The InChIKey is KMGMQRYTKKYTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3S2/c3-1-5(4)2(6)7/h4H2,(H,6,7).
What are the key properties of amino(cyano)carbamodithioic acid?
amino(cyano)carbamodithioic acid has a molecular weight of 133.20 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(cyano)carbamodithioic acid is sourced from PubChem (CID 57211782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).