(2,6-Difluorophenyl) methanethiol

CAT: 0127-PC48785Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC48785Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

878204-82-1

MDL Number

MFCD06798019

Purity

=95%

Smiles

Fc1cccc(F)c1CS

Storage Conditions

Store at 2-8°C

Chemical Information

(2,6-Difluorophenyl)methanethiol

CAS Number	878204-82-1
PubChem CID	2761427
IUPAC Name	(2,6-difluorophenyl)methanethiol
Molecular Formula	C7H6F2S
Molecular Weight	160.19
XLogP	2.1
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C(=C1)F)CS)F

InChI

InChI=1S/C7H6F2S/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2

InChIKey

WPLAKERHHWPZCA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 878204-82-1

CID: 2761427

Formula: C7H6F2S

MW: 160.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.19
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	160.01582769
Monoisotopic Mass	160.01582769
Topological Polar Surface Area	1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC111792-01	(2,3-Difluorophenyl) methanethiol
OR1047793-01	(2,6-Dichlorophenyl) methanethiol
OR91121-01	(2,4,6-Trimethoxyphenyl) methanethiol
PC108797-01	(2-Fluorophenyl) Methanethiol
OR1053849-01	(2-Nitrophenyl) methanethiol
OR30176-01	(2-Methylphenyl) methanethiol
OR51959	(2-Methoxyphenyl) methanethiol
PC500037	2,6-Difluorophenyl trifluoromethanesulphonate
OR21967	[3- (mercaptomethyl) -2,4,6-trimethylphenyl]methanethiol
PC2875J-01	2,6-Difluorophenyl isocyanate

Catalog	Name
DKB20482-01	(2,6-Difluorophenyl) methanethiol
RCA27947-01	(2,6-Dichlorophenyl) methanethiol
ZJB98861-01	(2-Methoxyphenyl) methanethiol
ELC54551-01	(2-Cyclopropylphenyl) methanethiol
sc-343268	(2,2-dichlorocyclopropyl) methanethiol
XAA18298-01	(2,5-Dimethylphenyl) methanethiol
SAA79902-01	(2,5-Dichlorophenyl) methanethiol
RQB76153-01	(2-Methoxy-5-methylphenyl) methanethiol
XXC62620-01	(5-Ethylfuran-2-yl) methanethiol
IKC50628-01	(4-Methylmorpholin-2-yl) methanethiol