1-isothiocyanato-2-methoxyethane

1-isothiocyanato-2-methoxyethane

CAS: 38663-85-3

Formula: C4H7NOS

SMILES: COCCN=C=S

IUPAC: 1-isothiocyanato-2-methoxyethane

InChI: InChI=1S/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3

Composition: C (41.01%), H (6.02%), N (11.95%), O (13.65%), S (27.36%)

Molar Mass: 117.17

Atom Count: 14

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	117.024835023
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HTSAVXAFEVUJQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.37
Topological Polar Surface Area	21.59
Polarizability	12.67
Ring Count	0
Rotatable Bond Count	3

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