3DMET: B01206

Universal description

 
Entry B01206
Name Hydrogen sulfide; Hydrogen-sulfide; H2S; Sulfide
Formula H2S
Weight 33.9877
Canonical SMILES S
InChI 1/H2S/h1H2
CASRN® 7783-06-4
COMPOUND C00283
 

2D and 3D structures/descriptors

 
2D Structure

3D structure (visualized by Jmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 34.082
LogP(o/w) -0.062
SlogP 0.1128
LogS -0.70128
SMR 1.0382
TPSA (A2) 0
Number of rings 0
Number of atoms 3
   Chiral atoms 0
   H-bond acceptor 0
   H-bond donor 0
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 1
Number of bonds 2
   Single bonds 2
   Rotatable single bonds 0
   Double bonds 0
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 28.75
ASA (A2) 135.812
VSA (A2) 45.3729
Density 1.18546
Diameter 0
Dipole (debye) 0
Globularity 0
Potential energy (kcal/mol) 122.952
   angle bend energy 0.196657
   electrostatic energy 0
   non-bond energy 0
   out-of-plane energy 0
   solvation energy -7.26386
   bond stretch-bend energy -0.266288
   torsion energy 0
   Van del Waals energy 0

Three-dimensionalizing operation

converted by CONCORD standalone
confirmed by InChI
status Completely same chiraliry