4-(1-chloroethyl)thiadiazole;hydrochloride

C4H6Cl2N2S — CID 122236443

IUPAC4-(1-chloroethyl)thiadiazole;hydrochloride
SMILESCC(Cl)c1csnn1.Cl
InChIInChI=1S/C4H5ClN2S.ClH/c1-3(5)4-2-8-7-6-4;/h2-3H,1H3;1H
InChIKeyBMSCSXBUBUINNV-UHFFFAOYSA-N
MW185.08 g/mol
LogP2.26
Rot. Bonds1

About 4-(1-chloroethyl)thiadiazole;hydrochloride

4-(1-chloroethyl)thiadiazole;hydrochloride (PubChem CID 122236443) has the molecular formula C4H6Cl2N2S and a molecular weight of 185.08 g/mol. Its IUPAC name is 4-(1-chloroethyl)thiadiazole;hydrochloride.

Molecular Properties

Compound Name4-(1-chloroethyl)thiadiazole;hydrochloride
PubChem CID122236443
Molecular FormulaC4H6Cl2N2S
Molecular Weight185.08 g/mol
Exact Mass183.96
IUPAC Name4-(1-chloroethyl)thiadiazole;hydrochloride
SMILESCC(Cl)c1csnn1.Cl
InChIInChI=1S/C4H5ClN2S.ClH/c1-3(5)4-2-8-7-6-4;/h2-3H,1H3;1H
InChIKeyBMSCSXBUBUINNV-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.08
LogP ≤ 52.26
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-(Chloromethyl)-1,2,3-thiadiazole
CID 14370534
4-(1-Chloroethyl)-1,2,3-thiadiazole
CID 121552983
Ethyl thiadiazole
CID 13427198
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
4-(Dichloromethyl)thiadiazole
CID 10702275
4-(2-Chloroethyl)thiadiazole
CID 21832063
2-(Thiadiazol-4-yl)ethanethial
CID 54156344
1-(Thiadiazol-4-yl)ethanethiol
CID 57115605
4-(1-Chloroprop-2-enyl)thiadiazole
CID 70576360
4-(3-Chloropropyl)-1,2,3-thiadiazole
CID 130550084
1,2-Dichloroethane;4-propan-2-ylthiadiazole
CID 160851276
4-(3-Chloroprop-2-enyl)thiadiazole
CID 173439544

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)thiadiazole;hydrochloride?
The IUPAC name of 4-(1-chloroethyl)thiadiazole;hydrochloride (CID 122236443) is 4-(1-chloroethyl)thiadiazole;hydrochloride.
What is the SMILES notation for 4-(1-chloroethyl)thiadiazole;hydrochloride?
The canonical SMILES for 4-(1-chloroethyl)thiadiazole;hydrochloride is CC(Cl)c1csnn1.Cl.
What is the InChIKey of 4-(1-chloroethyl)thiadiazole;hydrochloride?
The InChIKey is BMSCSXBUBUINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S.ClH/c1-3(5)4-2-8-7-6-4;/h2-3H,1H3;1H.
What are the key properties of 4-(1-chloroethyl)thiadiazole;hydrochloride?
4-(1-chloroethyl)thiadiazole;hydrochloride has a molecular weight of 185.08 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)thiadiazole;hydrochloride is sourced from PubChem (CID 122236443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).