7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole

C10H9ClN2O2S — CID 134996272

IUPAC7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole
SMILESCSc1c(C)[nH]c2c(Cl)cc([N+](=O)[O-])cc12
InChIInChI=1S/C10H9ClN2O2S/c1-5-10(16-2)7-3-6(13(14)15)4-8(11)9(7)12-5/h3-4,12H,1-2H3
InChIKeyLIMCJTICUWTEIN-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.76
Rot. Bonds2

About 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole

7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole (PubChem CID 134996272) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole.

Molecular Properties

Compound Name7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole
PubChem CID134996272
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole
SMILESCSc1c(C)[nH]c2c(Cl)cc([N+](=O)[O-])cc12
InChIInChI=1S/C10H9ClN2O2S/c1-5-10(16-2)7-3-6(13(14)15)4-8(11)9(7)12-5/h3-4,12H,1-2H3
InChIKeyLIMCJTICUWTEIN-UHFFFAOYSA-N
XLogP3.76
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-nitro-9H-carbazole
CID 155673987
7-chloro-2-cyclopropyl-5-nitro-1H-indole-3-carbaldehyde
CID 98007136
1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359
2-chloro-6-methyl-4-nitrobenzenethiol
CID 119001206
3-acetyl-8-chloro-2-[(4-fluorophenyl)methylamino]-6-nitro-1H-quinolin-4-one
CID 142332165
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
4-chloro-6-(2,6-dichloro-4-nitrophenoxy)-2-methylsulfanylpyrimidine
CID 80542312
1-chloro-6-nitro-9H-carbazole
CID 163637234
2,6-dichloro-4-nitroaniline;molecular chlorine
CID 20849384
7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid
CID 155895736
(2,6-dichloro-4-nitrophenyl) acetate
CID 53440733

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole?
The IUPAC name of 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole (CID 134996272) is 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole.
What is the SMILES notation for 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole?
The canonical SMILES for 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole is CSc1c(C)[nH]c2c(Cl)cc([N+](=O)[O-])cc12.
What is the InChIKey of 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole?
The InChIKey is LIMCJTICUWTEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-5-10(16-2)7-3-6(13(14)15)4-8(11)9(7)12-5/h3-4,12H,1-2H3.
What are the key properties of 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole?
7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole has a molecular weight of 256.71 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-methylsulfanyl-5-nitro-1H-indole is sourced from PubChem (CID 134996272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).