Chemical ID: 6529421

c1ccc(cc1)CS
Chemical ID:
6529421
Name [?]:
phenylmethanethiol
SMILES [?]:
c1ccc(cc1)CS
InChi [?]:
InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,4,8/E:(2,3)(4,5)/rA:8nCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8S
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:6.05176
Area:278.855
Solvation:-0.919603
Coulombic:-4.41389
Bond Count [?]
All:8
Single:5
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:124.204
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.39
LogP (Chemaxon):2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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