1-amino-3-(2,6-dichlorophenyl)thiourea

C7H7Cl2N3S — CID 2758212

IUPAC1-amino-3-(2,6-dichlorophenyl)thiourea
SMILESNNC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C7H7Cl2N3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKeyMTLDTBBIPXCMJY-UHFFFAOYSA-N
MW236.13 g/mol
LogP2.15
Rot. Bonds1

About 1-amino-3-(2,6-dichlorophenyl)thiourea

1-amino-3-(2,6-dichlorophenyl)thiourea (PubChem CID 2758212) has the molecular formula C7H7Cl2N3S and a molecular weight of 236.13 g/mol. Its IUPAC name is 1-amino-3-(2,6-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2,6-dichlorophenyl)thiourea
PubChem CID2758212
Molecular FormulaC7H7Cl2N3S
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name1-amino-3-(2,6-dichlorophenyl)thiourea
SMILESNNC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C7H7Cl2N3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKeyMTLDTBBIPXCMJY-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-amino-3-(2,6-dichlorophenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Chlorophenyl)thiourea
CID 737139
N-(2,5-Dichlorophenyl)thiourea
CID 2731095
N-(2-Chlorophenyl)hydrazinecarbothioamide
CID 717704
4-(4-Chlorophenyl)-3-thiosemicarbazide
CID 706988
4-(3-Chlorophenyl)thiosemicarbazide
CID 707050
N-(2,6-Dichlorophenyl)thiourea
CID 722776
1-(2,4-Dichlorophenyl)-2-thiourea
CID 2746442
3-Amino-1-(2,4-dichlorophenyl)thiourea
CID 1810299
N1-(2-chloro-6-methylphenyl)hydrazine-1-carbothioamide
CID 2731000
4-(2,5-Dichlorophenyl)-3-thiosemicarbazide
CID 2758211
4-(3,4-Dichlorophenyl)-3-thiosemicarbazide
CID 1810302
4-(2,4,6-Trichlorophenyl)-3-thiosemicarbazide
CID 2760688

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,6-dichlorophenyl)thiourea?
The IUPAC name of 1-amino-3-(2,6-dichlorophenyl)thiourea (CID 2758212) is 1-amino-3-(2,6-dichlorophenyl)thiourea.
What is the SMILES notation for 1-amino-3-(2,6-dichlorophenyl)thiourea?
The canonical SMILES for 1-amino-3-(2,6-dichlorophenyl)thiourea is NNC(=S)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-amino-3-(2,6-dichlorophenyl)thiourea?
The InChIKey is MTLDTBBIPXCMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13).
What are the key properties of 1-amino-3-(2,6-dichlorophenyl)thiourea?
1-amino-3-(2,6-dichlorophenyl)thiourea has a molecular weight of 236.13 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,6-dichlorophenyl)thiourea is sourced from PubChem (CID 2758212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).