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3-CYANO-1-BUTYL-2-METHYLISOTHIOUREA

3-CYANO-1-BUTYL-2-METHYLISOTHIOUREA structure

CAS No:
5848-28-2
Formula:
C7H13N3S
Chemical Name:
3-CYANO-1-BUTYL-2-METHYLISOTHIOUREA
Synonyms:
3-Cyano-1-butyl-2-methylisothiourea;1-butyl-3-cyano-2-methyl-isothiourea;methyl N"-butyl-N-cyanocarbamimidothioate;SCHEMBL11478211;CTK5A8385;DTXSID20375686;ZINC4716417;AKOS006294600;AKOS017405088;methyl N"-butyl-N-cyano-carbamimidothioate

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3-CYANO-1-BUTYL-2-METHYLISOTHIOUREA Basic Attributes

Molecular Weight：

171.262

Exact Mass：

171.08300

DSSTox ID：

DTXSID20375686

HScode：

2930909090

Characteristics

PSA：

73.5

XLogP3：

1.96708

Density：

1.04g/cm3

Boiling Point：

251.2ºC at 760 mmHg

Flash Point：

105.7ºC

Refractive Index：

1.524

Safety Information

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

Computed Properties

Molecular Weight:171.27
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:171.08301860
Monoisotopic Mass:171.08301860
Topological Polar Surface Area:73.5
Heavy Atom Count:11
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CYANO-1-BUTYL-2-METHYLISOTHIOUREA

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-CYANO-1-BUTYL-2-METHYLISOTHIOUREA

SDS

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