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203-85-0

203-85-0 | 1H,3H-Naphtho[1,8-cd]thiopyran

CAS No: 203-85-0 Catalog No: AG0028NH MDL No:MFCD09865754

Product Description

Catalog Number:
AG0028NH
Chemical Name:
1H,3H-Naphtho[1,8-cd]thiopyran
CAS Number:
203-85-0
Molecular Formula:
C12H10S
Molecular Weight:
186.2728
MDL Number:
MFCD09865754
IUPAC Name:
3-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
InChI:
InChI=1S/C12H10S/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11/h1-6H,7-8H2
InChI Key:
PIUJLKSYKOKWMI-UHFFFAOYSA-N
SMILES:
S1Cc2cccc3c2c(C1)ccc3
NSC Number:
135350

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.272g/mol
Monoisotopic Mass:
186.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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