2-[(2-hydroxyethyl)sulfanyl]benzoic acid

2-[(2-hydroxyethyl)sulfanyl]benzoic acid

CAS: 58980-52-2

Formula: C9H10O3S

SMILES: OCCSC1=C(C=CC=C1)C(O)=O

IUPAC: 2-[(2-hydroxyethyl)sulfanyl]benzoic acid

InChI: InChI=1S/C9H10O3S/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4,10H,5-6H2,(H,11,12)

Composition: C (54.53%), H (5.08%), O (24.21%), S (16.17%)

Molar Mass: 198.24

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.035065356
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JCSPGCUGRGURES-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.57
Topological Polar Surface Area	57.53
Polarizability	20.03
Ring Count	1
Rotatable Bond Count	4

Suppliers

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	58980-52-2		$234.60$234.60