ethyl 2-aminoethanimidothioate

C4H10N2S — CID 58305794

IUPACethyl 2-aminoethanimidothioate
SMILES[H]/N=C(\CN)SCC
InChIInChI=1S/C4H10N2S/c1-2-7-4(6)3-5/h6H,2-3,5H2,1H3/b6-4+
InChIKeyBNKXBCMMLHKQEZ-GQCTYLIASA-N
MW118.20 g/mol
LogP0.68
Rot. Bonds2

About ethyl 2-aminoethanimidothioate

ethyl 2-aminoethanimidothioate (PubChem CID 58305794) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is ethyl 2-aminoethanimidothioate.

Molecular Properties

Compound Nameethyl 2-aminoethanimidothioate
PubChem CID58305794
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Nameethyl 2-aminoethanimidothioate
SMILES[H]/N=C(\CN)SCC
InChIInChI=1S/C4H10N2S/c1-2-7-4(6)3-5/h6H,2-3,5H2,1H3/b6-4+
InChIKeyBNKXBCMMLHKQEZ-GQCTYLIASA-N
XLogP0.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino(ethylsulfanyl)methylidene]azanium
CID 5048191
S-ethyl 2-imino-3-oxobutanethioate
CID 152701154
methanamine;propanimidamide
CID 158653796
ethyl 3-(phenylmethoxycarbonylamino)propanimidothioate
CID 12715853
[amino(ethylsulfanyl)methylidene]-methylazanium
CID 101002214
ethylbenzene;ethyl carbamimidothioate
CID 142078509
ethyl carbamimidothioate;prop-2-en-1-amine;2-prop-2-enylguanidine;hydrate;dihydrobromide
CID 159930918
2,3-diiminobutan-1-amine
CID 123340860
heptane-3,5-diimine
CID 142023911
S-ethyl carbamothioate
CID 12673087
tert-butyl N-(C-ethylsulfanylcarbonimidoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 148546672
(3-methylphenyl)sulfanyl propanimidothioate
CID 87552380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminoethanimidothioate?
The IUPAC name of ethyl 2-aminoethanimidothioate (CID 58305794) is ethyl 2-aminoethanimidothioate.
What is the SMILES notation for ethyl 2-aminoethanimidothioate?
The canonical SMILES for ethyl 2-aminoethanimidothioate is [H]/N=C(\CN)SCC.
What is the InChIKey of ethyl 2-aminoethanimidothioate?
The InChIKey is BNKXBCMMLHKQEZ-GQCTYLIASA-N. The full InChI is InChI=1S/C4H10N2S/c1-2-7-4(6)3-5/h6H,2-3,5H2,1H3/b6-4+.
What are the key properties of ethyl 2-aminoethanimidothioate?
ethyl 2-aminoethanimidothioate has a molecular weight of 118.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminoethanimidothioate is sourced from PubChem (CID 58305794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).