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247035-47-8 | Carbamic acid, N-(4-isothiocyanatobutyl)-, 1,1-dimethylethyl ester
CAS No: 247035-47-8 Catalog No: AG002P33 MDL No:
Product Description
Catalog Number:
AG002P33
Chemical Name:
Carbamic acid, N-(4-isothiocyanatobutyl)-, 1,1-dimethylethyl ester
CAS Number:
247035-47-8
Molecular Formula:
C10H18N2O2S
Molecular Weight:
230.3271
IUPAC Name:
tert-butyl N-(4-isothiocyanatobutyl)carbamate
InChI:
InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-7-5-4-6-11-8-15/h4-7H2,1-3H3,(H,12,13)
InChI Key:
KWATYFKNNFFFSH-UHFFFAOYSA-N
SMILES:
S=C=NCCCCNC(=O)OC(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.109g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.326g/mol
Monoisotopic Mass:
230.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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