4-methyl-2,3-dihydrothieno[3,2-b]indole

C11H11NS — CID 86126267

IUPAC4-methyl-2,3-dihydrothieno[3,2-b]indole
SMILESCn1c2c(c3ccccc31)SCC2
InChIInChI=1S/C11H11NS/c1-12-9-5-3-2-4-8(9)11-10(12)6-7-13-11/h2-5H,6-7H2,1H3
InChIKeyVGSIMQVUQWBRDV-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.83
Rot. Bonds

About 4-methyl-2,3-dihydrothieno[3,2-b]indole

4-methyl-2,3-dihydrothieno[3,2-b]indole (PubChem CID 86126267) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-methyl-2,3-dihydrothieno[3,2-b]indole.

Molecular Properties

Compound Name4-methyl-2,3-dihydrothieno[3,2-b]indole
PubChem CID86126267
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name4-methyl-2,3-dihydrothieno[3,2-b]indole
SMILESCn1c2c(c3ccccc31)SCC2
InChIInChI=1S/C11H11NS/c1-12-9-5-3-2-4-8(9)11-10(12)6-7-13-11/h2-5H,6-7H2,1H3
InChIKeyVGSIMQVUQWBRDV-UHFFFAOYSA-N
XLogP2.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;bis(9-methylcarbazole)
CID 159710949
5-methyl-6H-indeno[2,1-b]indole
CID 13129411
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
ethane;9-methylcarbazole;triphenylene
CID 142356751
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
CID 603347
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
(13E)-3,24-dimethyl-29-thia-3,24-diazahexacyclo[24.2.1.02,10.04,9.017,25.018,23]nonacosa-1(28),2(10),4,6,8,13,17(25),18,20,22,26-undecaene
CID 122205076
12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene
CID 122365826
3-methyl-23-phenyl-16-thia-3,23-diazapentacyclo[11.10.0.02,10.04,9.017,22]tricosa-1(13),2(10),4,6,8,11,17,19,21-nonaene
CID 145449469

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydrothieno[3,2-b]indole?
The IUPAC name of 4-methyl-2,3-dihydrothieno[3,2-b]indole (CID 86126267) is 4-methyl-2,3-dihydrothieno[3,2-b]indole.
What is the SMILES notation for 4-methyl-2,3-dihydrothieno[3,2-b]indole?
The canonical SMILES for 4-methyl-2,3-dihydrothieno[3,2-b]indole is Cn1c2c(c3ccccc31)SCC2.
What is the InChIKey of 4-methyl-2,3-dihydrothieno[3,2-b]indole?
The InChIKey is VGSIMQVUQWBRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-12-9-5-3-2-4-8(9)11-10(12)6-7-13-11/h2-5H,6-7H2,1H3.
What are the key properties of 4-methyl-2,3-dihydrothieno[3,2-b]indole?
4-methyl-2,3-dihydrothieno[3,2-b]indole has a molecular weight of 189.28 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydrothieno[3,2-b]indole is sourced from PubChem (CID 86126267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).