1-(diaminomethylidene)-3-ethylthiourea;hydrochloride

C4H11ClN4S — CID 44630280

IUPAC1-(diaminomethylidene)-3-ethylthiourea;hydrochloride
SMILESCCNC(=S)N=C(N)N.Cl
InChIInChI=1S/C4H10N4S.ClH/c1-2-7-4(9)8-3(5)6;/h2H2,1H3,(H5,5,6,7,8,9);1H
InChIKeyNGQGRXAKCSGALJ-UHFFFAOYSA-N
MW182.68 g/mol
LogP-0.42
Rot. Bonds1

About 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride

1-(diaminomethylidene)-3-ethylthiourea;hydrochloride (PubChem CID 44630280) has the molecular formula C4H11ClN4S and a molecular weight of 182.68 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-ethylthiourea;hydrochloride
PubChem CID44630280
Molecular FormulaC4H11ClN4S
Molecular Weight182.68 g/mol
Exact Mass182.04
IUPAC Name1-(diaminomethylidene)-3-ethylthiourea;hydrochloride
SMILESCCNC(=S)N=C(N)N.Cl
InChIInChI=1S/C4H10N4S.ClH/c1-2-7-4(9)8-3(5)6;/h2H2,1H3,(H5,5,6,7,8,9);1H
InChIKeyNGQGRXAKCSGALJ-UHFFFAOYSA-N
XLogP-0.42
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.68
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride (CID 44630280) is 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride is CCNC(=S)N=C(N)N.Cl.
What is the InChIKey of 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride?
The InChIKey is NGQGRXAKCSGALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4S.ClH/c1-2-7-4(9)8-3(5)6;/h2H2,1H3,(H5,5,6,7,8,9);1H.
What are the key properties of 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride?
1-(diaminomethylidene)-3-ethylthiourea;hydrochloride has a molecular weight of 182.68 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-ethylthiourea;hydrochloride is sourced from PubChem (CID 44630280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).