Name: Name:Benzene, 1,4-bis(isothiocyanatomethyl)-
Brand: Angene
SKU: AG0004ET
Rating: 90 (10 reviews)

Benzene, 1,4-bis(isothiocyanatomethyl)-

CAS No.:

1014-99-9

Catalog Number:

AG0004ET

Molecular Formula:

C10H8N2S2

Molecular Weight:

220.3139

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Product Description

Catalog Number:

AG0004ET

Chemical Name:

Benzene, 1,4-bis(isothiocyanatomethyl)-

CAS Number:

1014-99-9

Molecular Formula:

C10H8N2S2

Molecular Weight:

220.3139

MDL Number:

MFCD00019768

IUPAC Name:

[4-(thiocyanatomethyl)phenyl]methyl thiocyanate

InChI:

InChI=1S/C10H8N2S2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-6H2

InChI Key:

ZMFLUYPLYCZQDR-UHFFFAOYSA-N

SMILES:

S=C=NCc1ccc(cc1)CN=C=S

Properties

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.308g/mol

Monoisotopic Mass:

220.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Mechanisms of organoselenium compounds in chemoprevention: effects on transcription factor-DNA binding.	Nutrition and cancer 20010101