2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole

C5H7ClN2S2 — CID 58430407

IUPAC2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(SCCl)s1
InChIInChI=1S/C5H7ClN2S2/c1-2-4-7-8-5(10-4)9-3-6/h2-3H2,1H3
InChIKeyMUEKJVFASKDGNX-UHFFFAOYSA-N
MW194.71 g/mol
LogP2.39
Rot. Bonds3

About 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole

2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole (PubChem CID 58430407) has the molecular formula C5H7ClN2S2 and a molecular weight of 194.71 g/mol. Its IUPAC name is 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole
PubChem CID58430407
Molecular FormulaC5H7ClN2S2
Molecular Weight194.71 g/mol
Exact Mass193.97
IUPAC Name2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(SCCl)s1
InChIInChI=1S/C5H7ClN2S2/c1-2-4-7-8-5(10-4)9-3-6/h2-3H2,1H3
InChIKeyMUEKJVFASKDGNX-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole
CID 59817036
2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
CID 130652451
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2231526
2-[(6-chloropyridazin-3-yl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 75417746
2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
CID 89302858
ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
CID 142566157
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine
CID 131224371
N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
CID 3846618
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 123706975
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine
CID 21239214

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole (CID 58430407) is 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole is CCc1nnc(SCCl)s1.
What is the InChIKey of 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole?
The InChIKey is MUEKJVFASKDGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S2/c1-2-4-7-8-5(10-4)9-3-6/h2-3H2,1H3.
What are the key properties of 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole?
2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole has a molecular weight of 194.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 58430407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).