7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole

C13H16ClNS — CID 117184313

IUPAC7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
SMILESCSCc1cc2cccc(Cl)c2n1C(C)C
InChIInChI=1S/C13H16ClNS/c1-9(2)15-11(8-16-3)7-10-5-4-6-12(14)13(10)15/h4-7,9H,8H2,1-3H3
InChIKeyISGKAZKSGWWEGC-UHFFFAOYSA-N
MW253.80 g/mol
LogP4.74
Rot. Bonds3

About 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole

7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole (PubChem CID 117184313) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
PubChem CID117184313
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
SMILESCSCc1cc2cccc(Cl)c2n1C(C)C
InChIInChI=1S/C13H16ClNS/c1-9(2)15-11(8-16-3)7-10-5-4-6-12(14)13(10)15/h4-7,9H,8H2,1-3H3
InChIKeyISGKAZKSGWWEGC-UHFFFAOYSA-N
XLogP4.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117184020
2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole
CID 117186618
2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117196918
2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole
CID 117184308
(7-chloro-1-methylindol-2-yl)methanethiol
CID 117183833
5-bromo-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117177401
1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
CID 117184052
2-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197178
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220
7-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117184323
2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 117184356
1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117197151

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole?
The IUPAC name of 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole (CID 117184313) is 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole.
What is the SMILES notation for 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole?
The canonical SMILES for 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole is CSCc1cc2cccc(Cl)c2n1C(C)C.
What is the InChIKey of 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole?
The InChIKey is ISGKAZKSGWWEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS/c1-9(2)15-11(8-16-3)7-10-5-4-6-12(14)13(10)15/h4-7,9H,8H2,1-3H3.
What are the key properties of 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole?
7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole has a molecular weight of 253.80 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117184313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).