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148637-74-5 molecular structure
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2-chloro-1,3-thiazole-5-carbonyl chloride

ChemBase ID: 101447
Molecular Formular: C4HCl2NOS
Molecular Mass: 182.02784
Monoisotopic Mass: 180.91559002
SMILES and InChIs

SMILES:
c1(sc(nc1)Cl)C(=O)Cl
Canonical SMILES:
Clc1ncc(s1)C(=O)Cl
InChI:
InChI=1S/C4HCl2NOS/c5-3(8)2-1-7-4(6)9-2/h1H
InChIKey:
GZSJPOBGZMUSPV-UHFFFAOYSA-N

Cite this record

CBID:101447 http://www.chembase.cn/molecule-101447.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1,3-thiazole-5-carbonyl chloride
IUPAC Traditional name
2-chloro-1,3-thiazole-5-carbonyl chloride
Synonyms
2-chloro-1,3-thiazole-5-carbonyl chloride
CAS Number
148637-74-5
MDL Number
MFCD09879938
PubChem SID
162087100
PubChem CID
24229701

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 24229701 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8694048  LogD (pH = 7.4) 1.8694049 
Log P 1.8694049  Molar Refractivity 37.1911 cm3
Polarizability 14.158707 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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