2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole

C8H11ClN2OS2 — CID 106493833

IUPAC2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole
SMILESClc1nnc(CSCC2CCCO2)s1
InChIInChI=1S/C8H11ClN2OS2/c9-8-11-10-7(14-8)5-13-4-6-2-1-3-12-6/h6H,1-5H2
InChIKeyHENKGRRCOHPZHI-UHFFFAOYSA-N
MW250.78 g/mol
LogP2.60
Rot. Bonds4

About 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole

2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole (PubChem CID 106493833) has the molecular formula C8H11ClN2OS2 and a molecular weight of 250.78 g/mol. Its IUPAC name is 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole
PubChem CID106493833
Molecular FormulaC8H11ClN2OS2
Molecular Weight250.78 g/mol
Exact Mass250.00
IUPAC Name2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole
SMILESClc1nnc(CSCC2CCCO2)s1
InChIInChI=1S/C8H11ClN2OS2/c9-8-11-10-7(14-8)5-13-4-6-2-1-3-12-6/h6H,1-5H2
InChIKeyHENKGRRCOHPZHI-UHFFFAOYSA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.78
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106495750
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-chloro-5-(oxan-4-ylsulfanylmethyl)-1,3,4-thiadiazole
CID 80606446
2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane
CID 112815253
2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)aniline
CID 106494229
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
N-[(5-chlorothiophen-2-yl)methyl]-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495878
5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625558
3-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
CID 106494594
1-(2,4-dichlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495124
5-chloro-7-(oxan-2-ylmethylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxine
CID 112815278
2-(ethenylsulfanylmethyl)oxolane
CID 19076165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole (CID 106493833) is 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole is Clc1nnc(CSCC2CCCO2)s1.
What is the InChIKey of 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole?
The InChIKey is HENKGRRCOHPZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS2/c9-8-11-10-7(14-8)5-13-4-6-2-1-3-12-6/h6H,1-5H2.
What are the key properties of 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole?
2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole has a molecular weight of 250.78 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 106493833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).