Computed Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Synonyms
113504-93-1
3,4-Methylenedioxyphenyl isothiocyanate
ACMC-1BOFG
AC1L3WXS
AC1Q7EY6
SCHEMBL1019410
CTK4A8328
DTXSID40150432
ZINC158543
ALBB-003060
BBL012569
MFCD00066321
5-Isothiocyanato-1,3-benzodioxole
SBB089539
STK501677
3,4-methylenedioxyphenylisothiocyanate
5-Isothiocyanato-1,3-benzodioxole #
1,3-Benzodioxole-5-yl isothiocyanate
3,4-methylendioxyphenyl isothiocyanate
AKOS000111505
FS-3919
MCULE-3312327814
RP03151
1,3-benzodioxol-5-yl isothiocyanate
RTR-002608
3,4-methylenedioxyphenyl isothio-cyanate
3,4-(Methylenedioxy)phenyl isothiocyanate
AJ-15210
ZB006926
2H-benzo[d]1,3-dioxolen-5-isothiocyanate
DB-021960
TR-002608
FT-0606547
Y7098
5-Isothiocyanato-2H-1,3-Benzodioxole
EN300-79684
A803058
3,4-Methylenedioxyphenyl isothiocyanate, AldrichCPR
I09-2542
W-204817
C8H5NO2S
3,4-methylenedioxophenyl isothiocyanate
CID123593
ZINC00158543
C-5590
1,3-Benzodioxole,5-isothiocyanato-
1,3-Benzodioxole, 5-isothiocyanato-
UVVSPZKAEJHDCY-UHFFFAOYSA-N
5-isothiocyanato-benzo[1,3]dioxole
5-Isothiocyanatobenzo[d][1,3]dioxole
