[4-chloro-2-(methylsulfanyl)pyrimidin-5-yl]methanol

[4-chloro-2-(methylsulfanyl)pyrimidin-5-yl]methanol

CAS: 1044145-59-6

Formula: C6H7ClN2OS

SMILES: CSC1=NC=C(CO)C(Cl)=N1

IUPAC: [4-chloro-2-(methylsulfanyl)pyrimidin-5-yl]methanol

InChI: InChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3

Composition: C (37.80%), H (3.70%), Cl (18.59%), N (14.69%), O (8.39%), S (16.82%)

Molar Mass: 190.65

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.9967617
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ADJUHOQFENGHSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.11
Topological Polar Surface Area	46.01
Polarizability	17.92
Ring Count	1
Rotatable Bond Count	2

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