2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole

C10H8Cl2N2S2 — CID 114790152

IUPAC2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole
SMILESClc1ccc(CSCc2nnc(Cl)s2)cc1
InChIInChI=1S/C10H8Cl2N2S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2
InChIKeyUZSFPHIBTOSPOO-UHFFFAOYSA-N
MW291.23 g/mol
LogP4.28
Rot. Bonds4

About 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole

2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole (PubChem CID 114790152) has the molecular formula C10H8Cl2N2S2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole
PubChem CID114790152
Molecular FormulaC10H8Cl2N2S2
Molecular Weight291.23 g/mol
Exact Mass289.95
IUPAC Name2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole
SMILESClc1ccc(CSCc2nnc(Cl)s2)cc1
InChIInChI=1S/C10H8Cl2N2S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2
InChIKeyUZSFPHIBTOSPOO-UHFFFAOYSA-N
XLogP4.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 44616120
[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
CID 114791897
4-[4-[(4-chlorophenyl)methylsulfanylmethyl]phenyl]thiadiazole
CID 2739138
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225296
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 80606144
2-chloro-5-(2-methoxyethylsulfanylmethyl)-1,3,4-thiadiazole
CID 80607692
3-bromo-2-[(4-chlorophenyl)methylsulfanylmethyl]thiophene
CID 114791424
2-chloro-5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607278
2-[(4-chlorophenyl)methylsulfanylmethyl]aniline
CID 115597560
N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 114792588
2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80606445
(2S)-2-amino-3-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]propanoic acid
CID 107773260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole (CID 114790152) is 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole is Clc1ccc(CSCc2nnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole?
The InChIKey is UZSFPHIBTOSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2.
What are the key properties of 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole?
2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole has a molecular weight of 291.23 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 114790152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).