4-(methylsulfanyl)-2-(phenylformamido)butanoic acid

4-(methylsulfanyl)-2-(phenylformamido)butanoic acid

CAS: 4703-38-2

Formula: C12H15NO3S

SMILES: CSCCC(NC(=O)C1=CC=CC=C1)C(O)=O

IUPAC: 4-(methylsulfanyl)-2-(phenylformamido)butanoic acid

InChI: InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)

Composition: C (56.90%), H (5.97%), N (5.53%), O (18.95%), S (12.66%)

Molar Mass: 253.32

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	253.077264521
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PPFRJEXUPZWQPI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.7
Topological Polar Surface Area	66.4
Polarizability	25.96
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	4703-38-2		$116.88-$810.65$116.88$280.50$810.65

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	4703-38-2		Quote Only

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	4703-38-2		$27.60-$65.55$27.60$65.55

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<7 Days	4703-38-2		$37.26-$149.04$37.26$149.04