2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole

C10H9ClN2S2 — CID 80606445

IUPAC2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole
SMILESCc1ccccc1SCc1nnc(Cl)s1
InChIInChI=1S/C10H9ClN2S2/c1-7-4-2-3-5-8(7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3
InChIKeyKVHMAKSLMDVDCU-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole

2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole (PubChem CID 80606445) has the molecular formula C10H9ClN2S2 and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole
PubChem CID80606445
Molecular FormulaC10H9ClN2S2
Molecular Weight256.78 g/mol
Exact Mass255.99
IUPAC Name2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole
SMILESCc1ccccc1SCc1nnc(Cl)s1
InChIInChI=1S/C10H9ClN2S2/c1-7-4-2-3-5-8(7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3
InChIKeyKVHMAKSLMDVDCU-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607278
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]-2-methylaniline
CID 80607688
3-chloro-4-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]aniline
CID 80606339
2-chloro-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607282
1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
1-chloro-3-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4176752
1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
CID 66098660
3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66094246
N-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 55989333
1-[2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66096565
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]propan-1-amine
CID 80607060
3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 62884951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole (CID 80606445) is 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole is Cc1ccccc1SCc1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole?
The InChIKey is KVHMAKSLMDVDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S2/c1-7-4-2-3-5-8(7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole?
2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole has a molecular weight of 256.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80606445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).