5-chloro-4-(methylsulfanylmethyl)thiadiazole

C4H5ClN2S2 — CID 61023846

IUPAC5-chloro-4-(methylsulfanylmethyl)thiadiazole
SMILESCSCc1nnsc1Cl
InChIInChI=1S/C4H5ClN2S2/c1-8-2-3-4(5)9-7-6-3/h2H2,1H3
InChIKeyWMXIUVQLDUEZPA-UHFFFAOYSA-N
MW180.69 g/mol
LogP2.05
Rot. Bonds2

About 5-chloro-4-(methylsulfanylmethyl)thiadiazole

5-chloro-4-(methylsulfanylmethyl)thiadiazole (PubChem CID 61023846) has the molecular formula C4H5ClN2S2 and a molecular weight of 180.69 g/mol. Its IUPAC name is 5-chloro-4-(methylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(methylsulfanylmethyl)thiadiazole
PubChem CID61023846
Molecular FormulaC4H5ClN2S2
Molecular Weight180.69 g/mol
Exact Mass179.96
IUPAC Name5-chloro-4-(methylsulfanylmethyl)thiadiazole
SMILESCSCc1nnsc1Cl
InChIInChI=1S/C4H5ClN2S2/c1-8-2-3-4(5)9-7-6-3/h2H2,1H3
InChIKeyWMXIUVQLDUEZPA-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.69
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-4-methyl-1,2,3-thiadiazole
CID 1478445
2-[(5-Chlorothiadiazol-4-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 45853802
(5-Chloro-1,2,3-thiadiazol-4-yl)methanethiol
CID 17930866
4-(Chloromethyl)-5-methylsulfanylthiadiazole
CID 141307553
5-Methylsulfanyl-4-(methylsulfanylmethyl)thiadiazole
CID 141307566
5-Chloro-4-(1-methylsulfanylethyl)thiadiazole
CID 141307570
(5-Chlorothiadiazol-4-yl)methyl carbamimidothioate
CID 31876738
2-[(5-Chlorothiadiazol-4-yl)methylsulfanyl]ethanamine
CID 43249549
4-(Butylsulfanylmethyl)-5-chlorothiadiazole
CID 43408125
4-(Butan-2-ylsulfanylmethyl)-5-chlorothiadiazole
CID 43408130
5-Chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole
CID 43408134
4-(Tert-butylsulfanylmethyl)-5-chlorothiadiazole
CID 43408146

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(methylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(methylsulfanylmethyl)thiadiazole (CID 61023846) is 5-chloro-4-(methylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(methylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(methylsulfanylmethyl)thiadiazole is CSCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-(methylsulfanylmethyl)thiadiazole?
The InChIKey is WMXIUVQLDUEZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S2/c1-8-2-3-4(5)9-7-6-3/h2H2,1H3.
What are the key properties of 5-chloro-4-(methylsulfanylmethyl)thiadiazole?
5-chloro-4-(methylsulfanylmethyl)thiadiazole has a molecular weight of 180.69 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(methylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 61023846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).