200,000+ products from a single source!
sales@angenechem.com
1004-00-8 | Benzenethiol, 2-amino-4-chloro-
CAS No: 1004-00-8 Catalog No: AG0001WH MDL No:MFCD00792528
Product Description
Catalog Number:
AG0001WH
Chemical Name:
Benzenethiol, 2-amino-4-chloro-
CAS Number:
1004-00-8
Molecular Formula:
C6H6ClNS
Molecular Weight:
159.6365
MDL Number:
MFCD00792528
IUPAC Name:
2-amino-4-chlorobenzenethiol
InChI:
InChI=1S/C6H6ClNS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChI Key:
NGIRMPARLVGMPX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N)S
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.991g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.631g/mol
Monoisotopic Mass:
158.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 5-Chloro-4'-ethyl-3H-spiro-[1,3-benzo-thia-zole-2,1'-cyclo-hexa-ne]. | Acta crystallographica. Section E, Structure reports online 20120501 |
| 4'-tert-Butyl-5-chloro-3H-spiro-[1,3-benzothia-zole-2,1'-cyclo-hexa-ne]. | Acta crystallographica. Section E, Structure reports online 20120501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.