1,2-dichloroethane;4-propan-2-ylthiadiazole

C7H12Cl2N2S — CID 160851276

IUPAC1,2-dichloroethane;4-propan-2-ylthiadiazole
SMILESCC(C)c1csnn1.ClCCCl
InChIInChI=1S/C5H8N2S.C2H4Cl2/c1-4(2)5-3-8-7-6-5;3-1-2-4/h3-4H,1-2H3;1-2H2
InChIKeySJHGQQUUBXDVDR-UHFFFAOYSA-N
MW227.16 g/mol
LogP3.13
Rot. Bonds2

About 1,2-dichloroethane;4-propan-2-ylthiadiazole

1,2-dichloroethane;4-propan-2-ylthiadiazole (PubChem CID 160851276) has the molecular formula C7H12Cl2N2S and a molecular weight of 227.16 g/mol. Its IUPAC name is 1,2-dichloroethane;4-propan-2-ylthiadiazole.

Molecular Properties

Compound Name1,2-dichloroethane;4-propan-2-ylthiadiazole
PubChem CID160851276
Molecular FormulaC7H12Cl2N2S
Molecular Weight227.16 g/mol
Exact Mass226.01
IUPAC Name1,2-dichloroethane;4-propan-2-ylthiadiazole
SMILESCC(C)c1csnn1.ClCCCl
InChIInChI=1S/C5H8N2S.C2H4Cl2/c1-4(2)5-3-8-7-6-5;3-1-2-4/h3-4H,1-2H3;1-2H2
InChIKeySJHGQQUUBXDVDR-UHFFFAOYSA-N
XLogP3.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1-Chloroethyl)-1,2,3-thiadiazole
CID 121552983
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
4-(2-Chloroethyl)thiadiazole
CID 21832063
4-Propan-2-ylthiadiazol-3-ium-3-amine
CID 147962000
Ethane;4-propan-2-ylthiadiazole
CID 166455851
4-(3-Chloroprop-2-enyl)thiadiazole
CID 173439544
4-(1-Chloropentan-3-yl)thiadiazole
CID 174275082
Ethane;4-ethylthiadiazole
CID 177229927
4-(1-Chloroethyl)-1,2,3-thiadiazole hydrochloride
CID 122236443
4-[(1R)-1-chloroethyl]thiadiazole
CID 125181141
4-[(1S)-1-chloroethyl]thiadiazole
CID 125181142
4-(3-Chloro-2-methylpropyl)-1,2,3-thiadiazole
CID 130550092

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethane;4-propan-2-ylthiadiazole?
The IUPAC name of 1,2-dichloroethane;4-propan-2-ylthiadiazole (CID 160851276) is 1,2-dichloroethane;4-propan-2-ylthiadiazole.
What is the SMILES notation for 1,2-dichloroethane;4-propan-2-ylthiadiazole?
The canonical SMILES for 1,2-dichloroethane;4-propan-2-ylthiadiazole is CC(C)c1csnn1.ClCCCl.
What is the InChIKey of 1,2-dichloroethane;4-propan-2-ylthiadiazole?
The InChIKey is SJHGQQUUBXDVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.C2H4Cl2/c1-4(2)5-3-8-7-6-5;3-1-2-4/h3-4H,1-2H3;1-2H2.
What are the key properties of 1,2-dichloroethane;4-propan-2-ylthiadiazole?
1,2-dichloroethane;4-propan-2-ylthiadiazole has a molecular weight of 227.16 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethane;4-propan-2-ylthiadiazole is sourced from PubChem (CID 160851276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).