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26387-09-7 | Carbamic acid, (α-methylphenethyl)dithio- (8CI)
CAS No: 26387-09-7 Catalog No: AG002SZB MDL No:
Product Description
Catalog Number:
AG002SZB
Chemical Name:
Carbamic acid, (α-methylphenethyl)dithio- (8CI)
CAS Number:
26387-09-7
Molecular Formula:
C10H13NS2
Molecular Weight:
211.3469
IUPAC Name:
1-phenylpropan-2-ylcarbamodithioic acid
InChI:
InChI=1S/C10H13NS2/c1-8(11-10(12)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12,13)
InChI Key:
FCFUNPAMBCXUAO-UHFFFAOYSA-N
SMILES:
CC(Cc1ccccc1)NC(=S)S
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.341g/mol
Monoisotopic Mass:
211.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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