200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 136860-48-5
136860-48-5 | TRICYCLO[3.3.1.13,7]DECANE, 1-ISOTHIOCYANATO-3-METHYL-
CAS No: 136860-48-5 Catalog No: AG0012HE MDL No:
Product Description
Catalog Number:
AG0012HE
Chemical Name:
TRICYCLO[3.3.1.13,7]DECANE, 1-ISOTHIOCYANATO-3-METHYL-
CAS Number:
136860-48-5
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
IUPAC Name:
1-isothiocyanato-3-methyladamantane
InChI:
InChI=1S/C12H17NS/c1-11-3-9-2-10(4-11)6-12(5-9,7-11)13-8-14/h9-10H,2-7H2,1H3
InChI Key:
ZJAYYILGFJOGCD-UHFFFAOYSA-N
SMILES:
S=C=NC12CC3CC(C1)CC(C2)(C3)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.335g/mol
Monoisotopic Mass:
207.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.