Chemical ID: 5249815

CC1CCc2c(sc(=N)[nH]2)C1
Chemical ID:
5249815
Name [?]:
6-methyl-4,5,6,7-tetrahydro-3H-benzothiazol-2-imine
SMILES [?]:
CC1CCc2c(sc(=N)[nH]2)C1
InChi [?]:
InChI=1/C8H12N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,2,5,6,8,9,10,7/rA:11cCCCCCCSCNNC/rB:s1;s2;s3;s4;d5;s6;s7;w8;s5s8;s2s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.96629
Area:320.287
Solvation:-1.04088
Coulombic:-23.6574
Bond Count [?]
All:12
Single:10
Double:2
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:168.26
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.01
LogP (Chemaxon):1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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