5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole

C6H9ClN2S2 — CID 60884050

IUPAC5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole
SMILESCC(C)SCc1nnsc1Cl
InChIInChI=1S/C6H9ClN2S2/c1-4(2)10-3-5-6(7)11-9-8-5/h4H,3H2,1-2H3
InChIKeyUCSPVFZYLPLCBD-UHFFFAOYSA-N
MW208.74 g/mol
LogP2.83
Rot. Bonds3

About 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole

5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole (PubChem CID 60884050) has the molecular formula C6H9ClN2S2 and a molecular weight of 208.74 g/mol. Its IUPAC name is 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole
PubChem CID60884050
Molecular FormulaC6H9ClN2S2
Molecular Weight208.74 g/mol
Exact Mass207.99
IUPAC Name5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole
SMILESCC(C)SCc1nnsc1Cl
InChIInChI=1S/C6H9ClN2S2/c1-4(2)10-3-5-6(7)11-9-8-5/h4H,3H2,1-2H3
InChIKeyUCSPVFZYLPLCBD-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.74
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole (CID 60884050) is 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole is CC(C)SCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole?
The InChIKey is UCSPVFZYLPLCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S2/c1-4(2)10-3-5-6(7)11-9-8-5/h4H,3H2,1-2H3.
What are the key properties of 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole?
5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole has a molecular weight of 208.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 60884050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).