2- (3-Nitrophenyl) ethane-1-thiol

CAT: 0926-FGA17220-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FGA17220-01Size:50 mg

Selected

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

Quick Request Actions

CAS Number

155172-20-6

MDL Number

MFCD30947447

Smiles

C1=CC (=CC (=C1) [N+] (=O) [O-]) CCS

Molecular Formula

C8H9NO2S

Molecular Weight

183.2 g/mol

Controlled

Chemical Information

2-(3-Nitrophenyl)ethanethiol

CAS Number	155172-20-6
PubChem CID	11008582
IUPAC Name	2-(3-nitrophenyl)ethanethiol
Molecular Formula	C8H9NO2S
Molecular Weight	183.23
XLogP	2.6
Topological Polar Surface Area	46.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	158

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CCS

InChI

InChI=1S/C8H9NO2S/c10-9(11)8-3-1-2-7(6-8)4-5-12/h1-3,6,12H,4-5H2

InChIKey

BXPYAIBYWMKAAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 155172-20-6

CID: 11008582

Formula: C8H9NO2S

MW: 183.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.23
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	183.03539970
Monoisotopic Mass	183.03539970
Topological Polar Surface Area	46.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158
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
SAA10966-01	2- (Phenylsulfanyl) ethane-1-thiol
QCA06226-01	2- (Thiophen-3-yl) ethane-1-thiol
RQB71681-01	1- (2-Chlorophenyl) ethane-1-thiol
STB30041-01	1- (3-Methoxyphenyl) ethane-1-thiol
CHA74862-01	2- (2-Iodophenyl) ethane-1-thiol
AJB46554-01	1- (2-Methoxyphenyl) ethane-1-thiol
CWB54265-01	1- (2-Fluorophenyl) ethane-1-thiol
HCA66085-01	2- (tert-Butylsulfanyl) ethane-1-thiol
ZAB73949-01	2- (4-Methoxyphenoxy) ethane-1-thiol
YDA48788-01	2- (4-Nitrophenoxy) ethane-1-thiol

Catalog	Name
RG-N092001-01	1,2-Bis (2-Nitrophenyl) Ethane
OR1046461-01	1- (2-Nitrophenyl) ethane-1,2-diol
OR1047932-01	1- (Benzo[d][1,3]dioxol-5-yl) ethane-1-thiol
sc-277887	5- (3-nitrophenyl) -1,3,4-oxadiazole-2-thiol
OR97900	4- (3-Nitrophenyl) pyrimidine-2-thiol
sc-280409	4-allyl-5- (3-nitrophenyl) -4H-1,2,4-triazole-3-thiol
OR1043439-01	Bis (4-nitrophenyl) (oxybis (ethane-2,1-diyl) ) bis (carbonate)
OR79043-01	N1- (5-Methoxy-2-nitrophenyl) ethane-1,2-diamine hydrochloride
40516-95-8	N', N'-DIETHYL-N- (2-NITROPHENYL) ETHANE-1,2-DIAMINE
OR1071594	But-3-yne-1-thiol