azane;ethylthiourea

C3H11N3S — CID 175294002

IUPACazane;ethylthiourea
SMILESCCNC(N)=S.N
InChIInChI=1S/C3H8N2S.H3N/c1-2-5-3(4)6;/h2H2,1H3,(H3,4,5,6);1H3
InChIKeyRNFFOBQJOUKIFB-UHFFFAOYSA-N
MW121.21 g/mol
LogP0.00
Rot. Bonds1

About azane;ethylthiourea

azane;ethylthiourea (PubChem CID 175294002) has the molecular formula C3H11N3S and a molecular weight of 121.21 g/mol. Its IUPAC name is azane;ethylthiourea.

Molecular Properties

Compound Nameazane;ethylthiourea
PubChem CID175294002
Molecular FormulaC3H11N3S
Molecular Weight121.21 g/mol
Exact Mass121.07
IUPAC Nameazane;ethylthiourea
SMILESCCNC(N)=S.N
InChIInChI=1S/C3H8N2S.H3N/c1-2-5-3(4)6;/h2H2,1H3,(H3,4,5,6);1H3
InChIKeyRNFFOBQJOUKIFB-UHFFFAOYSA-N
XLogP0.00
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.21
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethylthiourea;rhenium;trihexafluorophosphate
CID 11073243
ethanol;ethylthiourea;methyl N'-ethylcarbamimidothioate;hydroiodide
CID 159808778
ethoxymethylthiourea
CID 23032458
pentylthiourea;hydrochloride
CID 87769181
ethylperoxymethylthiourea
CID 88877110
ethylthiourea
CID 55288796
O-ethyl N-ethylcarbamothioate;silver
CID 166748918
2-oxopropylthiourea
CID 57042056
(Z)-1-[amino-[(Z)-prop-1-enyl]amino]-N-ethylprop-1-en-1-amine
CID 144672617
ethylcarbamodithioic acid;hydrate
CID 88596590
(3-methyl-2-propan-2-ylbutyl)thiourea
CID 102904815
3-propylhex-2-enylthiourea
CID 165175608

Frequently Asked Questions

What is the IUPAC name of azane;ethylthiourea?
The IUPAC name of azane;ethylthiourea (CID 175294002) is azane;ethylthiourea.
What is the SMILES notation for azane;ethylthiourea?
The canonical SMILES for azane;ethylthiourea is CCNC(N)=S.N.
What is the InChIKey of azane;ethylthiourea?
The InChIKey is RNFFOBQJOUKIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S.H3N/c1-2-5-3(4)6;/h2H2,1H3,(H3,4,5,6);1H3.
What are the key properties of azane;ethylthiourea?
azane;ethylthiourea has a molecular weight of 121.21 g/mol, XLogP of 0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethylthiourea is sourced from PubChem (CID 175294002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).