[2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene

C21H17N3S — CID 71741127

IUPAC[2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene
SMILESCc1c(Sc2ccccc2/N=N\c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H17N3S/c1-15-17-11-5-6-12-18(17)22-21(15)25-20-14-8-7-13-19(20)24-23-16-9-3-2-4-10-16/h2-14,22H,1H3/b24-23-
InChIKeyKMQZTJXDIAXQOS-VHXPQNKSSA-N
MW343.46 g/mol
LogP7.04
Rot. Bonds4

About [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene

[2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene (PubChem CID 71741127) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene.

Molecular Properties

Compound Name[2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene
PubChem CID71741127
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC Name[2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene
SMILESCc1c(Sc2ccccc2/N=N\c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H17N3S/c1-15-17-11-5-6-12-18(17)22-21(15)25-20-14-8-7-13-19(20)24-23-16-9-3-2-4-10-16/h2-14,22H,1H3/b24-23-
InChIKeyKMQZTJXDIAXQOS-VHXPQNKSSA-N
XLogP7.04
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
CID 138983413
1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 11266568
2-[(3-methyl-1H-indol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 10685305
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
bis(diphenyldiazene);uranium;vanadium
CID 158886927
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride
CID 3019870
ethane;(2-methylphenyl)-phenyldiazene;propane
CID 143988882

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene?
The IUPAC name of [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene (CID 71741127) is [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene.
What is the SMILES notation for [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene?
The canonical SMILES for [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene is Cc1c(Sc2ccccc2/N=N\c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene?
The InChIKey is KMQZTJXDIAXQOS-VHXPQNKSSA-N. The full InChI is InChI=1S/C21H17N3S/c1-15-17-11-5-6-12-18(17)22-21(15)25-20-14-8-7-13-19(20)24-23-16-9-3-2-4-10-16/h2-14,22H,1H3/b24-23-.
What are the key properties of [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene?
[2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene has a molecular weight of 343.46 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene is sourced from PubChem (CID 71741127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).