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Organic Intermediate
4-CHLORO-2-(METHYLSULFANYL)PYRIDINE
CAS:
334542-44-8
MW:
159.64
MF:
C6H6ClNS
 
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Names and ldentifier
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
4-CHLORO-2-(METHYLSULFANYL)PYRIDINE
1.2 Synonyms
4-chloro-2-(methylthio)pyridine; Pyridine, 4-chloro-2-(Methylthio)-;
1.3 CAS No.
334542-44-8
1.4 CID
10534968
1.5 Molecular Formula
C6H6ClNS
1.6 Inchi
InChI=1S/C6H6ClNS/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
1.7 InChkey
KHEHQWVIKAHHKR-UHFFFAOYSA-N
1.8 Canonical Smiles
CSC1=NC=CC(=C1)Cl
1.9 Isomers Smiles
CSC1=NC=CC(=C1)Cl
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. NMR Spectrum
13C NMR : Predict
1H NMR : Predict
4. Computed Properties
Molecular Weight:
159.64g/mol
Molecular Formula:
C
6
H
6
ClNS
Compound Is Canonicalized:
True
Exact Mass:
2.3
XLogP3-AA:
158.9909481
Monoisotopic Mass:
158.9909481
Complexity:
89.1
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
38.2
Heavy Atom Count::
9
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcYBiAABEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAYAAAAACALBUiS+gZIIEAigADBnRACC0CBxDzAI2Dg4ZpgIIGLgkZGEIAhggADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Toltal 12 Suppliers
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Hangzhou Tianye chemicals Co., Ltd
1YR
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Update Time:
2024/10/22
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Hangzhou J&H Chemical Co., Ltd
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Update Time:
2017/12/14
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shijiazhuang guizheng trade co.,ltd
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Update Time:
2018/12/13
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Shanghai Hope Chem Co., Ltd.
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Update Time:
2018/11/21
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Wuhan New
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Update Time:
2019/02/26
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6. Realated Product Infomation
2-Chloro-3-methylsulfanyl-6-(trifluoromethyl)pyridine
cas:1809161-56-5
3-Bromo-5-chloro-2-(methylsulfanyl)pyridine
cas:1289214-24-9
5-Chloro-2-(methylsulfanyl)pyridine-3-boronic acid
cas:1451392-63-4
4-chloro-6-(2-chloro-pyridin-4-yl)-2-Methylsulfanyl-pyriMidine
cas:861417-49-4
3,5-Bis(Methylsulfanyl)pyridine
cas:70999-08-5
7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine
cas:850785-57-8
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
NMR Spectrum
4.
Computational chemical data
5.
Toltal 12 Suppliers
6.
Realated Product Infomation
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