1-amino-1-(4-aminophenyl)thiourea

C7H10N4S — CID 151861088

IUPAC1-amino-1-(4-aminophenyl)thiourea
SMILESNC(=S)N(N)c1ccc(N)cc1
InChIInChI=1S/C7H10N4S/c8-5-1-3-6(4-2-5)11(10)7(9)12/h1-4H,8,10H2,(H2,9,12)
InChIKeySKSPWYIJOCXVQJ-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.19
Rot. Bonds1

About 1-amino-1-(4-aminophenyl)thiourea

1-amino-1-(4-aminophenyl)thiourea (PubChem CID 151861088) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-amino-1-(4-aminophenyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(4-aminophenyl)thiourea
PubChem CID151861088
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name1-amino-1-(4-aminophenyl)thiourea
SMILESNC(=S)N(N)c1ccc(N)cc1
InChIInChI=1S/C7H10N4S/c8-5-1-3-6(4-2-5)11(10)7(9)12/h1-4H,8,10H2,(H2,9,12)
InChIKeySKSPWYIJOCXVQJ-UHFFFAOYSA-N
XLogP0.19
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
azane;benzene-1,4-diamine;dihydrochloride
CID 70409738
2-(4-aminophenyl)ethanethioamide
CID 64981449
benzene-1,4-diamine;nickel
CID 87271840
benzene-1,4-diamine;methane
CID 158825195
N-(4-aminophenyl)-N-[4-(4-amino-N-(2,2,2-trifluoroacetyl)anilino)phenyl]-2,2,2-trifluoroacetamide
CID 102518969
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide
CID 154094255
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
4-[amino(ethoxy)amino]aniline
CID 87319186
4-N-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 129089444
4-N-methyl-4-N-(thian-4-yl)benzene-1,4-diamine
CID 83838964

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-aminophenyl)thiourea?
The IUPAC name of 1-amino-1-(4-aminophenyl)thiourea (CID 151861088) is 1-amino-1-(4-aminophenyl)thiourea.
What is the SMILES notation for 1-amino-1-(4-aminophenyl)thiourea?
The canonical SMILES for 1-amino-1-(4-aminophenyl)thiourea is NC(=S)N(N)c1ccc(N)cc1.
What is the InChIKey of 1-amino-1-(4-aminophenyl)thiourea?
The InChIKey is SKSPWYIJOCXVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c8-5-1-3-6(4-2-5)11(10)7(9)12/h1-4H,8,10H2,(H2,9,12).
What are the key properties of 1-amino-1-(4-aminophenyl)thiourea?
1-amino-1-(4-aminophenyl)thiourea has a molecular weight of 182.25 g/mol, XLogP of 0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-aminophenyl)thiourea is sourced from PubChem (CID 151861088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).