(7-chloro-1-methylindol-2-yl)methanethiol

C10H10ClNS — CID 117183833

IUPAC(7-chloro-1-methylindol-2-yl)methanethiol
SMILESCn1c(CS)cc2cccc(Cl)c21
InChIInChI=1S/C10H10ClNS/c1-12-8(6-13)5-7-3-2-4-9(11)10(7)12/h2-5,13H,6H2,1H3
InChIKeyWSOGNKBVJHOGBC-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.26
Rot. Bonds1

About (7-chloro-1-methylindol-2-yl)methanethiol

(7-chloro-1-methylindol-2-yl)methanethiol (PubChem CID 117183833) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is (7-chloro-1-methylindol-2-yl)methanethiol.

Molecular Properties

Compound Name(7-chloro-1-methylindol-2-yl)methanethiol
PubChem CID117183833
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name(7-chloro-1-methylindol-2-yl)methanethiol
SMILESCn1c(CS)cc2cccc(Cl)c21
InChIInChI=1S/C10H10ClNS/c1-12-8(6-13)5-7-3-2-4-9(11)10(7)12/h2-5,13H,6H2,1H3
InChIKeyWSOGNKBVJHOGBC-UHFFFAOYSA-N
XLogP3.26
TPSA4.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-1-methylindol-2-yl)methanethiol
CID 117173500
2-(7-chloro-1-methylindol-2-yl)propan-1-amine
CID 83868392
3-(7-chloro-1-methylindol-2-yl)butan-1-amine
CID 83868398
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117184313
8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 115042327
1-[(7-chloro-1-methylindol-2-yl)methyl]-8-methoxy-3,7-dimethylpurine-2,6-dione
CID 129269775
7-chloro-1-methyl-2-pyrrolidin-3-ylindole
CID 84627998
5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115107942
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84632651
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-methylindol-2-yl)methanethiol?
The IUPAC name of (7-chloro-1-methylindol-2-yl)methanethiol (CID 117183833) is (7-chloro-1-methylindol-2-yl)methanethiol.
What is the SMILES notation for (7-chloro-1-methylindol-2-yl)methanethiol?
The canonical SMILES for (7-chloro-1-methylindol-2-yl)methanethiol is Cn1c(CS)cc2cccc(Cl)c21.
What is the InChIKey of (7-chloro-1-methylindol-2-yl)methanethiol?
The InChIKey is WSOGNKBVJHOGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-12-8(6-13)5-7-3-2-4-9(11)10(7)12/h2-5,13H,6H2,1H3.
What are the key properties of (7-chloro-1-methylindol-2-yl)methanethiol?
(7-chloro-1-methylindol-2-yl)methanethiol has a molecular weight of 211.72 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-methylindol-2-yl)methanethiol is sourced from PubChem (CID 117183833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).