2-{[(3-methylthiophen-2-yl)methyl]amino}butan-1-ol

2-{[(3-methylthiophen-2-yl)methyl]amino}butan-1-ol

CAS: 869943-05-5

Formula: C10H17NOS

SMILES: CCC(CO)NCC1=C(C)C=CS1

IUPAC: 2-{[(3-methylthiophen-2-yl)methyl]amino}butan-1-ol

InChI: InChI=1/C10H17NOS/c1-3-9(7-12)11-6-10-8(2)4-5-13-10/h4-5,9,11-12H,3,6-7H2,1-2H3

Composition: C (60.26%), H (8.60%), N (7.03%), O (8.03%), S (16.09%)

Molar Mass: 199.31

Atom Count: 30

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	199.103085345
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	WWSKFEIFENZNJV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.47
Topological Polar Surface Area	32.26
Polarizability	22.09
Ring Count	1
Rotatable Bond Count	5

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