Chemical ID: 7114335

c1cc2c(cc1N)SCN2
Chemical ID:
7114335
Name [?]:
2,3-dihydrobenzothiazol-6-amine
SMILES [?]:
c1cc2c(cc1N)SCN2
InChi [?]:
InChI=1/C7H8N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,9H,4,8H2
InChi Info:
AuxInfo=1/0/N:1,2,5,9,6,3,4,7,10,8/rA:10nCCCCCCNSCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N2S
All Atoms:18
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.29483
Area:296.504
Solvation:-1.11777
Coulombic:-28.8173
Bond Count [?]
All:11
Single:8
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:152.218
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:0.96
LogP (Chemaxon):1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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