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METHYL3-ISOTHIOCYANATO-4-METHYLTHIOPHENE-2-CARBOXYLATE

METHYL3-ISOTHIOCYANATO-4-METHYLTHIOPHENE-2-CARBOXYLATE structure

CAS No:
81321-15-5
Formula:
C8H7NO2S2
Chemical Name:
METHYL3-ISOTHIOCYANATO-4-METHYLTHIOPHENE-2-CARBOXYLATE
Synonyms:
methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate;METHYL3-ISOTHIOCYANATO-4-METHYLTHIOPHENE-2-CARBOXYLATE;2-Thiophenecarboxylicacid, 3-isothiocyanato-4-methyl-, methyl ester;SCHEMBL2920208;CTK5E8704;DTXSID70380568;ZINC159986;SBB094823;AKOS025117112;AS-9280

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METHYL3-ISOTHIOCYANATO-4-METHYLTHIOPHENE-2-CARBOXYLATE Basic Attributes

Molecular Weight：

213.27700

Exact Mass：

212.99200

DSSTox ID：

DTXSID70380568

HScode：

2934999090

Characteristics

PSA：

98.99000

XLogP3：

2.57740

Density：

1.31g/cm3

Melting Point：

75-77ºC

Boiling Point：

358.6ºC at 760 mmHg

Flash Point：

170.7ºC

Refractive Index：

1.616

Safety Information

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Xn:Harmful;

Computed Properties

Molecular Weight:213.3
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:212.99182081
Monoisotopic Mass:212.99182081
Topological Polar Surface Area:99
Heavy Atom Count:13
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of METHYL3-ISOTHIOCYANATO-4-METHYLTHIOPHENE-2-CARBOXYLATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

METHYL3-ISOTHIOCYANATO-4-METHYLTHIOPHENE-2-CARBOXYLATE

SDS

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