sodium;(ethylideneamino) carbamodithioate;hydride

C3H7N2NaS2 — CID 175024199

IUPACsodium;(ethylideneamino) carbamodithioate;hydride
SMILESCC=NSC(N)=S.[H-].[Na+]
InChIInChI=1S/C3H6N2S2.Na.H/c1-2-5-7-3(4)6;;/h2H,1H3,(H2,4,6);;/q;+1;-1
InChIKeyOEDXQIUVDLKLKO-UHFFFAOYSA-N
MW158.23 g/mol
LogP-1.91
Rot. Bonds1

About sodium;(ethylideneamino) carbamodithioate;hydride

sodium;(ethylideneamino) carbamodithioate;hydride (PubChem CID 175024199) has the molecular formula C3H7N2NaS2 and a molecular weight of 158.23 g/mol. Its IUPAC name is sodium;(ethylideneamino) carbamodithioate;hydride.

Molecular Properties

Compound Namesodium;(ethylideneamino) carbamodithioate;hydride
PubChem CID175024199
Molecular FormulaC3H7N2NaS2
Molecular Weight158.23 g/mol
Exact Mass157.99
IUPAC Namesodium;(ethylideneamino) carbamodithioate;hydride
SMILESCC=NSC(N)=S.[H-].[Na+]
InChIInChI=1S/C3H6N2S2.Na.H/c1-2-5-7-3(4)6;;/h2H,1H3,(H2,4,6);;/q;+1;-1
InChIKeyOEDXQIUVDLKLKO-UHFFFAOYSA-N
XLogP-1.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(ethylideneamino) carbamodithioate
CID 175024200
sodium;amino N-ethylidenecarbamodithioate;hydride
CID 175022401
sodium;hydride;prop-1-ene-1,1-diamine
CID 174521873
ethane;(Z)-N-(3-methylbut-1-en-2-ylsulfanyl)ethanimine
CID 171660873
sodium;carbamodithioic acid;hydride
CID 173103786
methyl carbamodithioate;silver
CID 174849393
magnesium;ethylidenecarbamodithioic acid;hydride
CID 174615628
magnesium;S-carbamothioyl methanethioate;hydride
CID 174926417
potassium;S-carbamothioyl methanethioate;hydride
CID 175323485
1-ethyl-1-(ethylideneamino)thiourea
CID 88775197
beryllium;hydride;thiourea
CID 174830169
sodium;hydride;octyl carbamodithioate
CID 175140209

Frequently Asked Questions

What is the IUPAC name of sodium;(ethylideneamino) carbamodithioate;hydride?
The IUPAC name of sodium;(ethylideneamino) carbamodithioate;hydride (CID 175024199) is sodium;(ethylideneamino) carbamodithioate;hydride.
What is the SMILES notation for sodium;(ethylideneamino) carbamodithioate;hydride?
The canonical SMILES for sodium;(ethylideneamino) carbamodithioate;hydride is CC=NSC(N)=S.[H-].[Na+].
What is the InChIKey of sodium;(ethylideneamino) carbamodithioate;hydride?
The InChIKey is OEDXQIUVDLKLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2.Na.H/c1-2-5-7-3(4)6;;/h2H,1H3,(H2,4,6);;/q;+1;-1.
What are the key properties of sodium;(ethylideneamino) carbamodithioate;hydride?
sodium;(ethylideneamino) carbamodithioate;hydride has a molecular weight of 158.23 g/mol, XLogP of -1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(ethylideneamino) carbamodithioate;hydride is sourced from PubChem (CID 175024199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).