2-[5-(chloromethyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl]acetonitrile

Name: 2-[5-(chloromethyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl]acetonitrile
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CAS No. 731795-75-8
Cat. No. CS-0230314
Purity≥95%
MDL No.None

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2-[5-(chloromethyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl]acetonitrile|CS-0230314

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General Information

CAS No. 731795-75-8
Cat. No. CS-0230314
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₂ClN₃OS
Molecular Weight 293.77
Synonym(s) 2-(Chloromethyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-3-acetonitrile
SMILES N#CCN1C(C(C2=C(CCCC2)S3)=C3N=C1CCl)=O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 58.68
LogP 2.59918
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

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2-[5-(chloromethyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl]acetonitrile

CAS No. 731795-75-8

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