Chemical ID: 4702875

Cc1c(c(ns1)SC)C#N
Chemical ID:
4702875
Name [?]:
5-methyl-3-methylsulfanyl-isothiazole-4-carbonitrile
SMILES [?]:
Cc1c(c(ns1)SC)C#N
InChi [?]:
InChI=1/C6H6N2S2/c1-4-5(3-7)6(9-2)8-10-4/h1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,9,2,3,4,10,5,7,6/rA:10nCCCCNSSCCN/rB:s1;d2;s3;d4;s2s5;s4;s7;s3;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N2S2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.04956
Area:327.454
Solvation:-1.1368
Coulombic:-6.99889
Bond Count [?]
All:10
Single:7
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:170.257
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.15
LogP (Chemaxon):1.85

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Descriptor Annotations

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