Name: Name:2-(Ethoxycarbonyl)phenyl isothiocyanate
Brand: Angene
SKU: AG003F23
Rating: 90 (10 reviews)

2-(Ethoxycarbonyl)phenyl isothiocyanate

CAS No.:

99960-09-5

Catalog Number:

AG003F23

Molecular Formula:

Molecular Weight:

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1 week

United States

$55

- +

1 week

United States

$105

- +

25g

1 week

United States

$244

- +

100g

1 week

United States

$725

- +

Product Description

Catalog Number:

AG003F23

Chemical Name:

2-(Ethoxycarbonyl)phenyl isothiocyanate

CAS Number:

99960-09-5

MDL Number:

MFCD00041063

IUPAC Name:

ethyl 2-isothiocyanatobenzoate

InChI:

InChI=1S/C10H9NO2S/c1-2-13-10(12)8-5-3-4-6-9(8)11-7-14/h3-6H,2H2,1H3

InChI Key:

TYEPWLJHQLYWSR-UHFFFAOYSA-N

Properties

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.247g/mol

Monoisotopic Mass:

207.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Substituted 2-methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and substituted imidazopyrimidinediones from Cl(CH2)nNCO and Cl(CH2)nNCS and active methylene compounds.	The Journal of organic chemistry 20061222

Properties