(5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide

C12H13Cl2N5O2S — CID 135408641

IUPAC(5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide
SMILESCN(C)C=O.NC(=S)/N=N/c1c(O)[nH]c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H6Cl2N4OS.C3H7NO/c10-3-1-4-6(5(11)2-3)13-8(16)7(4)14-15-9(12)17;1-4(2)3-5/h1-2,13,16H,(H2,12,17);3H,1-2H3/b15-14+;
InChIKeyAEUMNSVPGHFQAM-WPDLWGESSA-N
MW362.24 g/mol
LogP3.21
Rot. Bonds2

About (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide

(5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide (PubChem CID 135408641) has the molecular formula C12H13Cl2N5O2S and a molecular weight of 362.24 g/mol. Its IUPAC name is (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide.

Molecular Properties

Compound Name(5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide
PubChem CID135408641
Molecular FormulaC12H13Cl2N5O2S
Molecular Weight362.24 g/mol
Exact Mass361.02
IUPAC Name(5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide
SMILESCN(C)C=O.NC(=S)/N=N/c1c(O)[nH]c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H6Cl2N4OS.C3H7NO/c10-3-1-4-6(5(11)2-3)13-8(16)7(4)14-15-9(12)17;1-4(2)3-5/h1-2,13,16H,(H2,12,17);3H,1-2H3/b15-14+;
InChIKeyAEUMNSVPGHFQAM-WPDLWGESSA-N
XLogP3.21
TPSA107.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-(4,6-dichloro-3-hydroxy-2H-isoindol-1-yl)iminothiourea
CID 135799272
4-amino-3-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-1,2,4-triazole-5-thione
CID 3004184
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
(5-fluoro-2-hydroxy-1H-indol-3-yl)iminothiourea
CID 715039
1-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3-(2-sulfamoylphenyl)thiourea
CID 137197067
N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 2390603
5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde
CID 65335092
5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid
CID 137058233
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide
CID 135982620
N-[(7-bromo-5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4633492
2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate
CID 135708292
1-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-3-methylthiourea
CID 135758806

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide?
The IUPAC name of (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide (CID 135408641) is (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide.
What is the SMILES notation for (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide?
The canonical SMILES for (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide is CN(C)C=O.NC(=S)/N=N/c1c(O)[nH]c2c(Cl)cc(Cl)cc12.
What is the InChIKey of (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide?
The InChIKey is AEUMNSVPGHFQAM-WPDLWGESSA-N. The full InChI is InChI=1S/C9H6Cl2N4OS.C3H7NO/c10-3-1-4-6(5(11)2-3)13-8(16)7(4)14-15-9(12)17;1-4(2)3-5/h1-2,13,16H,(H2,12,17);3H,1-2H3/b15-14+;.
What are the key properties of (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide?
(5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide has a molecular weight of 362.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide is sourced from PubChem (CID 135408641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).