4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione

C8H13N3S — CID 57128872

IUPAC4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione
SMILESC=c1[nH]c(=S)[nH]c1=CCCCN
InChIInChI=1S/C8H13N3S/c1-6-7(4-2-3-5-9)11-8(12)10-6/h4H,1-3,5,9H2,(H2,10,11,12)
InChIKeyUTXWNIWKFBBMPO-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.00
Rot. Bonds3

About 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione

4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione (PubChem CID 57128872) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione.

Molecular Properties

Compound Name4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione
PubChem CID57128872
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione
SMILESC=c1[nH]c(=S)[nH]c1=CCCCN
InChIInChI=1S/C8H13N3S/c1-6-7(4-2-3-5-9)11-8(12)10-6/h4H,1-3,5,9H2,(H2,10,11,12)
InChIKeyUTXWNIWKFBBMPO-UHFFFAOYSA-N
XLogP0.00
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione?
The IUPAC name of 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione (CID 57128872) is 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione.
What is the SMILES notation for 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione?
The canonical SMILES for 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione is C=c1[nH]c(=S)[nH]c1=CCCCN.
What is the InChIKey of 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione?
The InChIKey is UTXWNIWKFBBMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-7(4-2-3-5-9)11-8(12)10-6/h4H,1-3,5,9H2,(H2,10,11,12).
What are the key properties of 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione?
4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione has a molecular weight of 183.28 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutylidene)-5-methylideneimidazolidine-2-thione is sourced from PubChem (CID 57128872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).