5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride

C6H9Cl2NS2 — CID 20980512

IUPAC5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride
SMILESCSc1nc(C)c(CCl)s1.Cl
InChIInChI=1S/C6H8ClNS2.ClH/c1-4-5(3-7)10-6(8-4)9-2;/h3H2,1-2H3;1H
InChIKeyVDQRDIOTVSDDLP-UHFFFAOYSA-N
MW230.18 g/mol
LogP3.33
Rot. Bonds2

About 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride

5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride (PubChem CID 20980512) has the molecular formula C6H9Cl2NS2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride
PubChem CID20980512
Molecular FormulaC6H9Cl2NS2
Molecular Weight230.18 g/mol
Exact Mass228.96
IUPAC Name5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride
SMILESCSc1nc(C)c(CCl)s1.Cl
InChIInChI=1S/C6H8ClNS2.ClH/c1-4-5(3-7)10-6(8-4)9-2;/h3H2,1-2H3;1H
InChIKeyVDQRDIOTVSDDLP-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride (CID 20980512) is 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride is CSc1nc(C)c(CCl)s1.Cl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride?
The InChIKey is VDQRDIOTVSDDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS2.ClH/c1-4-5(3-7)10-6(8-4)9-2;/h3H2,1-2H3;1H.
What are the key properties of 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride?
5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride has a molecular weight of 230.18 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 20980512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).