Chemical ID: 6833180

c1cc(cc(c1)Br)NC(=O)C[S-]
Chemical ID:
6833180
Name [?]:
2-(3-bromophenyl)amino-2-oxo-ethanethiolate
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)C[S-]
InChi [?]:
InChI=1/C8H8BrNOS/c9-6-2-1-3-7(4-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,2,4,11,5,3,9,7,8,10,12/rA:12nCCCCCCBrNCOCS-/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7BrNOS-
All Atoms:19
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-29.6114
Area:361.261
Solvation:-38.6429
Coulombic:-6.46763
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:245.117
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.22
LogP (Chemaxon):2.19

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Descriptor Annotations

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