Chemical ID: 5787680

c1cc2c(cc1N)NC(=O)CS2
Chemical ID:
5787680
Name [?]:
8-amino-2-thia-5-azabicyclo[4.4.0]deca-6,8,10-trien-4-one
SMILES [?]:
c1cc2c(cc1N)NC(=O)CS2
InChi [?]:
InChI=1/C8H8N2OS/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,6,4,3,9,7,8,10,12/rA:12nCCCCCCNNCOCS/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s3s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.28457
Area:325.285
Solvation:-1.84757
Coulombic:-36.8466
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:180.228
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.4
LogP (Chemaxon):0.63

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Descriptor Annotations

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