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

C10H10ClNS — CID 117173500

IUPAC(4-chloro-1-methylindol-2-yl)methanethiol
SMILESCn1c(CS)cc2c(Cl)cccc21
InChIInChI=1S/C10H10ClNS/c1-12-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-5,13H,6H2,1H3
InChIKeyWGWBAJXVXRUBSQ-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.26
Rot. Bonds1

About (4-chloro-1-methylindol-2-yl)methanethiol

(4-chloro-1-methylindol-2-yl)methanethiol (PubChem CID 117173500) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is (4-chloro-1-methylindol-2-yl)methanethiol.

Molecular Properties

Compound Name(4-chloro-1-methylindol-2-yl)methanethiol
PubChem CID117173500
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name(4-chloro-1-methylindol-2-yl)methanethiol
SMILESCn1c(CS)cc2c(Cl)cccc21
InChIInChI=1S/C10H10ClNS/c1-12-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-5,13H,6H2,1H3
InChIKeyWGWBAJXVXRUBSQ-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)methanamine
CID 82657147
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
(7-chloro-1-methylindol-2-yl)methanethiol
CID 117183833
4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
CID 117173387
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173092
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
CID 117173103
4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole
CID 117173268
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
(4-chloro-1-methylindol-2-yl)boronic acid
CID 91275284
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
(1,4-dimethylindol-2-yl)methanol
CID 117120333

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylindol-2-yl)methanethiol?
The IUPAC name of (4-chloro-1-methylindol-2-yl)methanethiol (CID 117173500) is (4-chloro-1-methylindol-2-yl)methanethiol.
What is the SMILES notation for (4-chloro-1-methylindol-2-yl)methanethiol?
The canonical SMILES for (4-chloro-1-methylindol-2-yl)methanethiol is Cn1c(CS)cc2c(Cl)cccc21.
What is the InChIKey of (4-chloro-1-methylindol-2-yl)methanethiol?
The InChIKey is WGWBAJXVXRUBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-12-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-5,13H,6H2,1H3.
What are the key properties of (4-chloro-1-methylindol-2-yl)methanethiol?
(4-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 (4-chloro-1-methylindol-2-yl)methanethiol is sourced from PubChem (CID 117173500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).