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Cyanothioacetamide

Cyanothioacetamide structure

CAS No:
7357-70-2
Formula:
C3H4N2S
Chemical Name:
Cyanothioacetamide
Synonyms:
Ethanethioamide,2-cyano-;Acetamide,2-cyanothio-;2-Cyanoethanethioamide;Cyanothioacetamide;α-Cyanothioacetamide;(Thiocarbamoyl)acetonitrile;2-Cyanothioacetamide;NSC 53405
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

beige to brown needles or powder

Cyanothioacetamide Basic Attributes

Molecular Weight：

100.142

Exact Mass：

100.14

NSC Number：

53405

DSSTox ID：

DTXSID80223770

HScode：

2930909090

Characteristics

PSA：

81.90000

XLogP3：

-0.78

Appearance：

beige to brown needles or powder

Density：

1.3±0.1 g/cm3

Melting Point：

121-123 °C @ Solvent: Ethanol

Boiling Point：

264.0±42.0 °C at 760 mmHg

Flash Point：

113.4±27.9 °C

Refractive Index：

1.581

Water Solubility：

Does not mix well with water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3439 6.1/PG 3

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S37/39-S36/37/39

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:100.14
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:100.00951931
Monoisotopic Mass:100.00951931
Topological Polar Surface Area:81.9
Heavy Atom Count:6
Complexity:98.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 7357-70-2

Content: 99.00%

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2-Cyanothioacetamide CAS7357-70-2

CAS No.: 7357-70-2

Grade: Industrial Grade

Content: 99%

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